N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine

C15H32N2 — CID 114079715

IUPACN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)N(CC(C)C)CC1CCCN1
InChIInChI=1S/C15H32N2/c1-5-8-15(6-2)17(11-13(3)4)12-14-9-7-10-16-14/h13-16H,5-12H2,1-4H3
InChIKeyRARRXURHUWZSTM-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds8

About N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine (PubChem CID 114079715) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine
PubChem CID114079715
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine
SMILESCCCC(CC)N(CC(C)C)CC1CCCN1
InChIInChI=1S/C15H32N2/c1-5-8-15(6-2)17(11-13(3)4)12-14-9-7-10-16-14/h13-16H,5-12H2,1-4H3
InChIKeyRARRXURHUWZSTM-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
CID 104870302
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106605357
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106603407
N-(1-methoxypropan-2-yl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605152
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106602941
N-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617035
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106604476

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine?
The IUPAC name of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine (CID 114079715) is N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine?
The canonical SMILES for N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine is CCCC(CC)N(CC(C)C)CC1CCCN1.
What is the InChIKey of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine?
The InChIKey is RARRXURHUWZSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-8-15(6-2)17(11-13(3)4)12-14-9-7-10-16-14/h13-16H,5-12H2,1-4H3.
What are the key properties of N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine?
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 8 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)hexan-3-amine is sourced from PubChem (CID 114079715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).