N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

C18H28N2 — CID 106604434

IUPACN-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(CN(CC1CC1)CC1CCCN1)c1ccccc1
InChIInChI=1S/C18H28N2/c1-15(17-6-3-2-4-7-17)12-20(13-16-9-10-16)14-18-8-5-11-19-18/h2-4,6-7,15-16,18-19H,5,8-14H2,1H3
InChIKeyNCAQPNRKMYFTJF-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.25
Rot. Bonds7

About N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine

N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (PubChem CID 106604434) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
PubChem CID106604434
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
SMILESCC(CN(CC1CC1)CC1CCCN1)c1ccccc1
InChIInChI=1S/C18H28N2/c1-15(17-6-3-2-4-7-17)12-20(13-16-9-10-16)14-18-8-5-11-19-18/h2-4,6-7,15-16,18-19H,5,8-14H2,1H3
InChIKeyNCAQPNRKMYFTJF-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
N-benzyl-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605191
N,2-dimethyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106602398
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
N-methyl-1,1-diphenyl-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106602654
2-phenyl-N-(piperidin-3-ylmethyl)-N-propylpropan-1-amine
CID 106625318
2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106636659
1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-3-propan-2-yloxypropan-2-ol
CID 106616449
1-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604598
N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604263
2-methyl-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 61378673
cumene;pyrrolidin-2-ylmethanol
CID 142237933

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine (CID 106604434) is N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is CC(CN(CC1CC1)CC1CCCN1)c1ccccc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
The InChIKey is NCAQPNRKMYFTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15(17-6-3-2-4-7-17)12-20(13-16-9-10-16)14-18-8-5-11-19-18/h2-4,6-7,15-16,18-19H,5,8-14H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine?
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106604434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).