1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine

C13H24N2 — CID 116643527

IUPAC1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine
SMILESCC#CCCNC(CN)C1CCCCC1
InChIInChI=1S/C13H24N2/c1-2-3-7-10-15-13(11-14)12-8-5-4-6-9-12/h12-13,15H,4-11,14H2,1H3
InChIKeyBOZLHUJHSCKTQV-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.90
Rot. Bonds5

About 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine

1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine (PubChem CID 116643527) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine
PubChem CID116643527
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine
SMILESCC#CCCNC(CN)C1CCCCC1
InChIInChI=1S/C13H24N2/c1-2-3-7-10-15-13(11-14)12-8-5-4-6-9-12/h12-13,15H,4-11,14H2,1H3
InChIKeyBOZLHUJHSCKTQV-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-cyclopentylethyl]pent-3-yn-1-amine
CID 104807377
1-cyclobutyl-N-methylhex-4-yn-1-amine
CID 104805821
2-N-pent-3-ynylpropane-1,2-diamine
CID 116643455
1-cyclobutyl-N-ethylhex-4-yn-1-amine
CID 104805822
1-cyclopentyl-N-(cyclopropylmethyl)ethane-1,2-diamine
CID 65385449
1-cyclohexyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 57365235
N-but-3-ynyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116641090
1-cyclobutyl-N-ethylpent-3-yn-1-amine
CID 64986404
1-cyclopentyl-N-(2-methoxypropyl)ethane-1,2-diamine
CID 102697320
1-cyclobutylhex-4-yn-1-amine
CID 104805819
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
N-(2-amino-1-cyclohexylethyl)methanesulfonamide
CID 61122382

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine (CID 116643527) is 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine is CC#CCCNC(CN)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine?
The InChIKey is BOZLHUJHSCKTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-2-3-7-10-15-13(11-14)12-8-5-4-6-9-12/h12-13,15H,4-11,14H2,1H3.
What are the key properties of 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine?
1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine has a molecular weight of 208.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-pent-3-ynylethane-1,2-diamine is sourced from PubChem (CID 116643527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).