1-ethyl-N-pent-4-ynylazepan-4-amine

C13H24N2 — CID 106220583

IUPAC1-ethyl-N-pent-4-ynylazepan-4-amine
SMILESC#CCCCNC1CCCN(CC)CC1
InChIInChI=1S/C13H24N2/c1-3-5-6-10-14-13-8-7-11-15(4-2)12-9-13/h1,13-14H,4-12H2,2H3
InChIKeyMPUYPTVYMDRODL-UHFFFAOYSA-N
MW208.35 g/mol
LogP1.86
Rot. Bonds5

About 1-ethyl-N-pent-4-ynylazepan-4-amine

1-ethyl-N-pent-4-ynylazepan-4-amine (PubChem CID 106220583) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-ethyl-N-pent-4-ynylazepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-pent-4-ynylazepan-4-amine
PubChem CID106220583
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-ethyl-N-pent-4-ynylazepan-4-amine
SMILESC#CCCCNC1CCCN(CC)CC1
InChIInChI=1S/C13H24N2/c1-3-5-6-10-14-13-8-7-11-15(4-2)12-9-13/h1,13-14H,4-12H2,2H3
InChIKeyMPUYPTVYMDRODL-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
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

1-methyl-N-pent-4-ynylpiperidin-4-amine
CID 115677396
N-hex-5-ynyl-1-methylazepan-4-amine
CID 103903669
2-[(1-ethylazepan-4-yl)amino]ethanol
CID 65074439
1-ethyl-N-(3-methylsulfonylpropyl)azepan-4-amine
CID 65073233
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
N-(2-butoxyethyl)-1-ethylazepan-4-amine
CID 65073819
3-[(1-ethylazepan-4-yl)amino]propanoic acid
CID 65074143
1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
CID 113412467
N-ethyl-N-[3-[(1-ethylazepan-4-yl)amino]propyl]methanesulfonamide
CID 65073766
N-(cyclopentylmethyl)-1-ethylazepan-4-amine
CID 65074491
N-(1-ethylpiperidin-4-yl)-N'-propan-2-ylethane-1,2-diamine
CID 146359522
2-[4-(hex-5-ynylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 103903646

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-pent-4-ynylazepan-4-amine?
The IUPAC name of 1-ethyl-N-pent-4-ynylazepan-4-amine (CID 106220583) is 1-ethyl-N-pent-4-ynylazepan-4-amine.
What is the SMILES notation for 1-ethyl-N-pent-4-ynylazepan-4-amine?
The canonical SMILES for 1-ethyl-N-pent-4-ynylazepan-4-amine is C#CCCCNC1CCCN(CC)CC1.
What is the InChIKey of 1-ethyl-N-pent-4-ynylazepan-4-amine?
The InChIKey is MPUYPTVYMDRODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-6-10-14-13-8-7-11-15(4-2)12-9-13/h1,13-14H,4-12H2,2H3.
What are the key properties of 1-ethyl-N-pent-4-ynylazepan-4-amine?
1-ethyl-N-pent-4-ynylazepan-4-amine has a molecular weight of 208.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-pent-4-ynylazepan-4-amine is sourced from PubChem (CID 106220583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).