N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine

C16H26N2 — CID 62580013

IUPACN-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-16(2,3)17-12-15-10-7-11-18(15)13-14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-13H2,1-3H3
InChIKeyVDYCLEKDOKLCTL-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.04
Rot. Bonds4

About N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine

N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 62580013) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID62580013
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCCN1Cc1ccccc1
InChIInChI=1S/C16H26N2/c1-16(2,3)17-12-15-10-7-11-18(15)13-14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-13H2,1-3H3
InChIKeyVDYCLEKDOKLCTL-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 63528363
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62580916
N-[[1-[(3,5-dimethylphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581633
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]ethanamine
CID 94499350
N-[[1-[(5-chlorothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 55092364
1-[(1-benzylpyrrolidin-2-yl)methyl]-2,3-dimethylguanidine
CID 111337614
2-methyl-N-[[1-(pyridin-2-ylmethyl)piperidin-2-yl]methyl]propan-2-amine
CID 62580597
(1-benzylpiperidin-2-yl)methylhydrazine
CID 53402111
N-[[4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62439339
(1-benzylpyrrolidin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 44631754
N-[[1-[(5-bromothiophen-2-yl)methyl]pyrrolidin-2-yl]methyl]-2-methylpropan-2-amine
CID 62581813
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine (CID 62580013) is N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCCN1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is VDYCLEKDOKLCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)17-12-15-10-7-11-18(15)13-14-8-5-4-6-9-14/h4-6,8-9,15,17H,7,10-13H2,1-3H3.
What are the key properties of N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine?
N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrolidin-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62580013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).