N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine

C16H34N2 — CID 106981800

IUPACN-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine
SMILESCCCCCN(CC1(C(C)C)CCNC1)C(C)C
InChIInChI=1S/C16H34N2/c1-6-7-8-11-18(15(4)5)13-16(14(2)3)9-10-17-12-16/h14-15,17H,6-13H2,1-5H3
InChIKeyWPOVHNHAYNRJFY-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine

N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine (PubChem CID 106981800) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine
PubChem CID106981800
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine
SMILESCCCCCN(CC1(C(C)C)CCNC1)C(C)C
InChIInChI=1S/C16H34N2/c1-6-7-8-11-18(15(4)5)13-16(14(2)3)9-10-17-12-16/h14-15,17H,6-13H2,1-5H3
InChIKeyWPOVHNHAYNRJFY-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 104594932
N,N,N'-trimethyl-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 106981897
N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106981815
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65013731
3-methoxy-N-methyl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]propan-1-amine
CID 106981871
N,N-dimethyl-N'-(2-methylpropyl)-N'-[(3-propan-2-ylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 106981814
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N,N-dimethyl-1-(4-propan-2-ylpiperidin-4-yl)methanamine
CID 84659810
N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63144012
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
4-ethyl-N-pentyl-N-propan-2-ylpiperidine-4-carboxamide
CID 63128354
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62392039

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine?
The IUPAC name of N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine (CID 106981800) is N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine?
The canonical SMILES for N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine is CCCCCN(CC1(C(C)C)CCNC1)C(C)C.
What is the InChIKey of N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine?
The InChIKey is WPOVHNHAYNRJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-6-7-8-11-18(15(4)5)13-16(14(2)3)9-10-17-12-16/h14-15,17H,6-13H2,1-5H3.
What are the key properties of N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine?
N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine is sourced from PubChem (CID 106981800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).