N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C16H26N2 — CID 106605191

IUPACN-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1ccccc1)CC1CCCN1
InChIInChI=1S/C16H26N2/c1-14(2)11-18(13-16-9-6-10-17-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyLDPKIWUFAAOAFP-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.90
Rot. Bonds6

About N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106605191) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106605191
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(C)CN(Cc1ccccc1)CC1CCCN1
InChIInChI=1S/C16H26N2/c1-14(2)11-18(13-16-9-6-10-17-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3
InChIKeyLDPKIWUFAAOAFP-UHFFFAOYSA-N
XLogP2.90
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-iodophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106617091
N-[(4-chlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605569
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605408
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605289
N-[(5-bromothiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605584
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
N-[[4-(2-methylpropyl)phenyl]methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603955
2-methyl-N-[(5-methyl-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605379
N-[(5-tert-butylthiophen-2-yl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605239

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106605191) is N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(C)CN(Cc1ccccc1)CC1CCCN1.
What is the InChIKey of N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is LDPKIWUFAAOAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-14(2)11-18(13-16-9-6-10-17-16)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-17H,6,9-13H2,1-2H3.
What are the key properties of N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106605191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).