N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine

C17H36N2 — CID 106605331

IUPACN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
SMILESCCCCCCCCN(CC(C)C)CC1CCCN1
InChIInChI=1S/C17H36N2/c1-4-5-6-7-8-9-13-19(14-16(2)3)15-17-11-10-12-18-17/h16-18H,4-15H2,1-3H3
InChIKeyNMXOFYAJVSPIAF-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.06
Rot. Bonds11

About N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine (PubChem CID 106605331) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
PubChem CID106605331
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine
SMILESCCCCCCCCN(CC(C)C)CC1CCCN1
InChIInChI=1S/C17H36N2/c1-4-5-6-7-8-9-13-19(14-16(2)3)15-17-11-10-12-18-17/h16-18H,4-15H2,1-3H3
InChIKeyNMXOFYAJVSPIAF-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.06
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-propyl-N-(pyrrolidin-2-ylmethyl)pentan-1-amine
CID 106603768
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)nonan-1-amine
CID 106617543
N-[2-(3-methylbutoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616758
N-butyl-N-[[(2R)-piperidin-2-yl]methyl]butan-1-amine
CID 28983352
(2S)-1-[propyl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933695
5-[butyl(pyrrolidin-2-ylmethyl)amino]pentanenitrile
CID 106616646
N-[2-(2-methoxyethoxy)ethyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617190
2-[2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]ethoxy]ethanol
CID 106617137
N-ethyl-N-(pyrrolidin-2-ylmethyl)nonan-2-amine
CID 106603643
N-[(E)-but-2-enyl]-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106616935
2-methyl-3-[propyl(pyrrolidin-2-ylmethyl)amino]propanoic acid
CID 106616013

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine?
The IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine (CID 106605331) is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine is CCCCCCCCN(CC(C)C)CC1CCCN1.
What is the InChIKey of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine?
The InChIKey is NMXOFYAJVSPIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-4-5-6-7-8-9-13-19(14-16(2)3)15-17-11-10-12-18-17/h16-18H,4-15H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine?
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)octan-1-amine is sourced from PubChem (CID 106605331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).