N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine

C22H27ClNP — CID 101001196

IUPACN-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCC(C)N(C1c2ccccc2C=Cc2ccccc21)P(Cl)C(C)(C)C
InChIInChI=1S/C22H27ClNP/c1-16(2)24(25(23)22(3,4)5)21-19-12-8-6-10-17(19)14-15-18-11-7-9-13-20(18)21/h6-16,21H,1-5H3
InChIKeyAAXUKDCQYKWQAZ-UHFFFAOYSA-N
MW371.89 g/mol
LogP7.32
Rot. Bonds3

About N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine

N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (PubChem CID 101001196) has the molecular formula C22H27ClNP and a molecular weight of 371.89 g/mol. Its IUPAC name is N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.

Molecular Properties

Compound NameN-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
PubChem CID101001196
Molecular FormulaC22H27ClNP
Molecular Weight371.89 g/mol
Exact Mass371.16
IUPAC NameN-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
SMILESCC(C)N(C1c2ccccc2C=Cc2ccccc21)P(Cl)C(C)(C)C
InChIInChI=1S/C22H27ClNP/c1-16(2)24(25(23)22(3,4)5)21-19-12-8-6-10-17(19)14-15-18-11-7-9-13-20(18)21/h6-16,21H,1-5H3
InChIKeyAAXUKDCQYKWQAZ-UHFFFAOYSA-N
XLogP7.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.89
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

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CID 102513812
N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)methanesulfonamide
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N',N'-dimethyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)ethane-1,2-diamine
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2-(2,3,4,5,6-pentachlorophenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
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ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
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N-propan-2-yl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The IUPAC name of N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine (CID 101001196) is N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine.
What is the SMILES notation for N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The canonical SMILES for N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is CC(C)N(C1c2ccccc2C=Cc2ccccc21)P(Cl)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
The InChIKey is AAXUKDCQYKWQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClNP/c1-16(2)24(25(23)22(3,4)5)21-19-12-8-6-10-17(19)14-15-18-11-7-9-13-20(18)21/h6-16,21H,1-5H3.
What are the key properties of N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine?
N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine has a molecular weight of 371.89 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(chloro)phosphanyl]-N-propan-2-yltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine is sourced from PubChem (CID 101001196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).