N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine

C16H32N2 — CID 60855640

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-14(2)17-12-15-10-11-18(13-15)16-8-9-16/h14-17H,3-13H2,1-2H3
InChIKeyCFEXMPIRNFYGRI-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds9

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine (PubChem CID 60855640) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
PubChem CID60855640
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine
SMILESCCCCCCC(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C16H32N2/c1-3-4-5-6-7-14(2)17-12-15-10-11-18(13-15)16-8-9-16/h14-17H,3-13H2,1-2H3
InChIKeyCFEXMPIRNFYGRI-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
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

5-Propyl-3-(diethylamino-methyl)-pyrrolidine
CID 12522073
5-propyl-3-(N,N-dimethylamino-methyl)pyrrolidine
CID 13863193
N'-(4-cyclopropylbutyl)-N-ethyl-N'-[3-(ethylamino)propyl]butane-1,4-diamine
CID 44350780
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]nonan-2-amine
CID 60856481
2,8-dimethyl-N-(3-pyrrolidin-1-ylpropyl)nonan-5-amine
CID 15030018
2,8-dimethyl-N-(7-pyrrolidin-1-ylheptyl)nonan-5-amine
CID 19026125
Cyclopropyl-(1-methylpyrrolidin-3-yl)methanamine
CID 20763726
4-(Aminomethyl)-1-decyl-2-methylpyrrolidin-3-amine
CID 21538002
Hexadecyl-dimethyl-(1-pyrrolidin-3-ylpropyl)azanium iodide
CID 22245255
Hexadecyl-dimethyl-(1-pyrrolidin-3-ylpropyl)azanium
CID 22245256
N-[(5-butylpyrrolidin-3-yl)methyl]pentan-1-amine
CID 53717570
Hexadecyl-dimethyl-(3-pyrrolidin-3-ylpropyl)azanium
CID 54553814

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine (CID 60855640) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine is CCCCCCC(C)NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine?
The InChIKey is CFEXMPIRNFYGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-4-5-6-7-14(2)17-12-15-10-11-18(13-15)16-8-9-16/h14-17H,3-13H2,1-2H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]octan-2-amine is sourced from PubChem (CID 60855640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).