1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine

C17H34NP — CID 171992343

IUPAC1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine
SMILESCC(C)P(C(C)C)C1C2CCCCC2CC1N(C)C
InChIInChI=1S/C17H34NP/c1-12(2)19(13(3)4)17-15-10-8-7-9-14(15)11-16(17)18(5)6/h12-17H,7-11H2,1-6H3
InChIKeyKFVJCGIVCOXKFR-UHFFFAOYSA-N
MW283.44 g/mol
LogP4.79
Rot. Bonds4

About 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine

1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine (PubChem CID 171992343) has the molecular formula C17H34NP and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine.

Molecular Properties

Compound Name1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine
PubChem CID171992343
Molecular FormulaC17H34NP
Molecular Weight283.44 g/mol
Exact Mass283.24
IUPAC Name1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine
SMILESCC(C)P(C(C)C)C1C2CCCCC2CC1N(C)C
InChIInChI=1S/C17H34NP/c1-12(2)19(13(3)4)17-15-10-8-7-9-14(15)11-16(17)18(5)6/h12-17H,7-11H2,1-6H3
InChIKeyKFVJCGIVCOXKFR-UHFFFAOYSA-N
XLogP4.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine?
The IUPAC name of 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine (CID 171992343) is 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine.
What is the SMILES notation for 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine?
The canonical SMILES for 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine is CC(C)P(C(C)C)C1C2CCCCC2CC1N(C)C.
What is the InChIKey of 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine?
The InChIKey is KFVJCGIVCOXKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34NP/c1-12(2)19(13(3)4)17-15-10-8-7-9-14(15)11-16(17)18(5)6/h12-17H,7-11H2,1-6H3.
What are the key properties of 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine?
1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine has a molecular weight of 283.44 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yl)phosphanyl-N,N-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-amine is sourced from PubChem (CID 171992343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).