N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine

C12H27N3 — CID 146359522

IUPACN-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCN1CCC(NCCNC(C)C)CC1
InChIInChI=1S/C12H27N3/c1-4-15-9-5-12(6-10-15)14-8-7-13-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyHGWXNXYUVDHPFK-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.06
Rot. Bonds6

About N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine

N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 146359522) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID146359522
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
SMILESCCN1CCC(NCCNC(C)C)CC1
InChIInChI=1S/C12H27N3/c1-4-15-9-5-12(6-10-15)14-8-7-13-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyHGWXNXYUVDHPFK-UHFFFAOYSA-N
XLogP1.06
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
1-ethyl-N-(2-methylbutyl)piperidin-4-amine
CID 61038759
N-(1-methylpyrrolidin-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206314
ethane;N-[2-(1-ethylpiperidin-4-yl)ethyl]propan-2-amine;molecular hydrogen
CID 156795305
1-ethyl-N-(2-ethylsulfonylethyl)piperidin-4-amine
CID 115716494
N-(cyclobutylmethyl)-1-ethylpiperidin-4-amine
CID 43298506
1-ethyl-N-(2-methyl-3-piperidin-1-ylpropyl)piperidin-4-amine
CID 54906375
2-[(1-ethylpiperidin-4-yl)amino]-N-propan-2-ylacetamide
CID 43400021
N-butan-2-yl-1-ethylpiperidin-4-amine
CID 43177306
3-[(1-ethylazepan-4-yl)amino]propanoic acid
CID 65074143
1-N-cyclopropyl-4-N-(1-ethylpiperidin-4-yl)-4-N-methylpentane-1,4-diamine
CID 62436358

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine (CID 146359522) is N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine is CCN1CCC(NCCNC(C)C)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is HGWXNXYUVDHPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-15-9-5-12(6-10-15)14-8-7-13-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine?
N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 146359522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).