1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine

C16H27N3 — CID 55074275

IUPAC1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
SMILESCCN(Cc1ccncc1)C(C)CCCNC1CC1
InChIInChI=1S/C16H27N3/c1-3-19(13-15-8-11-17-12-9-15)14(2)5-4-10-18-16-6-7-16/h8-9,11-12,14,16,18H,3-7,10,13H2,1-2H3
InChIKeyIGQWVZXSJCYSQG-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.82
Rot. Bonds9

About 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine

1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine (PubChem CID 55074275) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
PubChem CID55074275
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine
SMILESCCN(Cc1ccncc1)C(C)CCCNC1CC1
InChIInChI=1S/C16H27N3/c1-3-19(13-15-8-11-17-12-9-15)14(2)5-4-10-18-16-6-7-16/h8-9,11-12,14,16,18H,3-7,10,13H2,1-2H3
InChIKeyIGQWVZXSJCYSQG-UHFFFAOYSA-N
XLogP2.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,3-N-diethyl-3-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 62431481
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
CID 62432306
4-N-benzyl-4-N-ethyl-1-N-methylpentane-1,4-diamine
CID 62418482
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
1-cyclopentyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 55034763
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661
3-[ethyl(pyridin-4-ylmethyl)amino]butanenitrile
CID 61450672
1-cyclopropyl-N-ethyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 61450542
4-N-[(3-chlorophenyl)methyl]-1-N-cyclopropyl-4-N-methylpentane-1,4-diamine
CID 62431547
2-N-ethyl-3-methyl-1-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62431127
1-N-cyclopropyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 62463301

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine (CID 55074275) is 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine is CCN(Cc1ccncc1)C(C)CCCNC1CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine?
The InChIKey is IGQWVZXSJCYSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-19(13-15-8-11-17-12-9-15)14(2)5-4-10-18-16-6-7-16/h8-9,11-12,14,16,18H,3-7,10,13H2,1-2H3.
What are the key properties of 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine?
1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-N-ethyl-4-N-(pyridin-4-ylmethyl)pentane-1,4-diamine is sourced from PubChem (CID 55074275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).