N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine

C17H29N3 — CID 107367822

IUPACN'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
SMILESNCCCN(CCCN1CCCC1)Cc1ccccc1
InChIInChI=1S/C17H29N3/c18-10-6-13-20(16-17-8-2-1-3-9-17)15-7-14-19-11-4-5-12-19/h1-3,8-9H,4-7,10-16,18H2
InChIKeyGRUYJXILTDZJFG-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.32
Rot. Bonds9

About N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine

N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine (PubChem CID 107367822) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
PubChem CID107367822
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
SMILESNCCCN(CCCN1CCCC1)Cc1ccccc1
InChIInChI=1S/C17H29N3/c18-10-6-13-20(16-17-8-2-1-3-9-17)15-7-14-19-11-4-5-12-19/h1-3,8-9H,4-7,10-16,18H2
InChIKeyGRUYJXILTDZJFG-UHFFFAOYSA-N
XLogP2.32
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
N-benzyl-N-(3-benzylsulfanylpropyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 118585042
1-[3-(dibenzylamino)propyl]piperidin-4-amine
CID 18403417
N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
1-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidin-2-one
CID 107367465
N-benzyl-N-[(3-chloro-4-methoxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 20766137
N'-(2-aminoethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62923470
N'-benzyl-N'-but-3-enylpropane-1,3-diamine
CID 107367467
benzyl-[3-[1,4,12-tris[3-[benzyl(carboxy)amino]propyl]-1,4,8,12-tetrazacyclopentadec-8-yl]propyl]carbamic acid
CID 57372008
3-[2-[3-aminopropyl(benzyl)amino]ethyl]imidazolidine-2,4-dione
CID 107367635
N-benzyl-N-[(3-ethylphenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 143169976

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine (CID 107367822) is N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine is NCCCN(CCCN1CCCC1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
The InChIKey is GRUYJXILTDZJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c18-10-6-13-20(16-17-8-2-1-3-9-17)15-7-14-19-11-4-5-12-19/h1-3,8-9H,4-7,10-16,18H2.
What are the key properties of N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.32, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 107367822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).