N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine

C14H30N2 — CID 104870302

IUPACN-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)N(CC(C)C)C[C@@H]1CCCN1
InChIInChI=1S/C14H30N2/c1-5-14(6-2)16(10-12(3)4)11-13-8-7-9-15-13/h12-15H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyHTNKEVRJNWLJPO-ZDUSSCGKSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds7

About N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine

N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine (PubChem CID 104870302) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
PubChem CID104870302
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine
SMILESCCC(CC)N(CC(C)C)C[C@@H]1CCCN1
InChIInChI=1S/C14H30N2/c1-5-14(6-2)16(10-12(3)4)11-13-8-7-9-15-13/h12-15H,5-11H2,1-4H3/t13-/m0/s1
InChIKeyHTNKEVRJNWLJPO-ZDUSSCGKSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)hexan-3-amine
CID 114079715
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 106605357
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-butan-2-yl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106617035
N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106604476
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106603407
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
(2R)-1-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propan-2-ol
CID 106933690
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine?
The IUPAC name of N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine (CID 104870302) is N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine.
What is the SMILES notation for N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine?
The canonical SMILES for N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine is CCC(CC)N(CC(C)C)C[C@@H]1CCCN1.
What is the InChIKey of N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine?
The InChIKey is HTNKEVRJNWLJPO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H30N2/c1-5-14(6-2)16(10-12(3)4)11-13-8-7-9-15-13/h12-15H,5-11H2,1-4H3/t13-/m0/s1.
What are the key properties of N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine?
N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]pentan-3-amine is sourced from PubChem (CID 104870302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).