N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine

C17H29N3 — CID 61494177

IUPACN'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
SMILESCc1ccc(N(CCCN)CCCN2CCCC2)cc1
InChIInChI=1S/C17H29N3/c1-16-6-8-17(9-7-16)20(14-4-10-18)15-5-13-19-11-2-3-12-19/h6-9H,2-5,10-15,18H2,1H3
InChIKeyDRRQYRWPPBIAJF-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.64
Rot. Bonds8

About N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine

N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine (PubChem CID 61494177) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
PubChem CID61494177
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
SMILESCc1ccc(N(CCCN)CCCN2CCCC2)cc1
InChIInChI=1S/C17H29N3/c1-16-6-8-17(9-7-16)20(14-4-10-18)15-5-13-19-11-2-3-12-19/h6-9H,2-5,10-15,18H2,1H3
InChIKeyDRRQYRWPPBIAJF-UHFFFAOYSA-N
XLogP2.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N'-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 43136052
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
N-(3-methylsulfanylpropyl)-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 118584768
2-[N-(3-aminopropyl)-4-methylanilino]acetic acid
CID 63654241
4-[ethyl(3-piperidin-1-ylpropyl)amino]benzonitrile
CID 68970064
N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
CID 82866805
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822
N'-(4-methylphenyl)-N'-[2-(2-methylpropoxy)ethyl]propane-1,3-diamine
CID 106450778
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
2-[N-(3-aminopropyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 43318743
N'-(2-aminoethyl)-N'-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 62923470

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
The IUPAC name of N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine (CID 61494177) is N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine is Cc1ccc(N(CCCN)CCCN2CCCC2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
The InChIKey is DRRQYRWPPBIAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-16-6-8-17(9-7-16)20(14-4-10-18)15-5-13-19-11-2-3-12-19/h6-9H,2-5,10-15,18H2,1H3.
What are the key properties of N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine?
N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine has a molecular weight of 275.44 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine is sourced from PubChem (CID 61494177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).