1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine

C16H33N3 — CID 62436358

IUPAC1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
SMILESCCN1CCC(N(C)C(C)CCCNC2CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-19-12-9-16(10-13-19)18(3)14(2)6-5-11-17-15-7-8-15/h14-17H,4-13H2,1-3H3
InChIKeyHRMUNYHMGLWTEY-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds8

About 1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine

1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine (PubChem CID 62436358) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
PubChem CID62436358
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
SMILESCCN1CCC(N(C)C(C)CCCNC2CC2)CC1
InChIInChI=1S/C16H33N3/c1-4-19-12-9-16(10-13-19)18(3)14(2)6-5-11-17-15-7-8-15/h14-17H,4-13H2,1-3H3
InChIKeyHRMUNYHMGLWTEY-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
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-ethyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436193
N-[4-(4-ethylpiperazin-1-yl)pentyl]cyclopropanamine
CID 62418577
1-N-cyclopropyl-4-N,4-N-dimethylpentane-1,4-diamine
CID 62418784
1-N-cyclopropyl-4-N-methyl-4-N-(thiolan-3-yl)pentane-1,4-diamine
CID 62422981
N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 146359522
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62436873
1-N-cyclopropyl-4-N-methyl-4-N-(4-methylpentan-2-yl)pentane-1,4-diamine
CID 55072495
2-N-(1-ethylpiperidin-4-yl)-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 55087320
1-N,4-N-dicyclopropyl-4-N-(2-methylpropyl)pentane-1,4-diamine
CID 62429378
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
1-N-cyclopropyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)propane-1,2-diamine
CID 62425020
N-(4-methylhexyl)cyclopropanamine
CID 62529631

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine?
The IUPAC name of 1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine (CID 62436358) is 1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine is CCN1CCC(N(C)C(C)CCCNC2CC2)CC1.
What is the InChIKey of 1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine?
The InChIKey is HRMUNYHMGLWTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-19-12-9-16(10-13-19)18(3)14(2)6-5-11-17-15-7-8-15/h14-17H,4-13H2,1-3H3.
What are the key properties of 1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine?
1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.32, 8 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-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine is sourced from PubChem (CID 62436358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).