N-ethylpent-4-yn-1-amine

C7H13N — CID 12615597

IUPACN-ethylpent-4-yn-1-amine
SMILESC#CCCCNCC
InChIInChI=1S/C7H13N/c1-3-5-6-7-8-4-2/h1,8H,4-7H2,2H3
InChIKeyNYJNTUUPMSFHKC-UHFFFAOYSA-N
MW111.19 g/mol
LogP1.01
Rot. Bonds4

About N-ethylpent-4-yn-1-amine

N-ethylpent-4-yn-1-amine (PubChem CID 12615597) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is N-ethylpent-4-yn-1-amine.

Molecular Properties

Compound NameN-ethylpent-4-yn-1-amine
PubChem CID12615597
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC NameN-ethylpent-4-yn-1-amine
SMILESC#CCCCNCC
InChIInChI=1S/C7H13N/c1-3-5-6-7-8-4-2/h1,8H,4-7H2,2H3
InChIKeyNYJNTUUPMSFHKC-UHFFFAOYSA-N
XLogP1.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethylbut-3-yn-1-amine;phosphane
CID 143703444
N-methyl-N'-pent-4-ynylpropane-1,3-diamine
CID 59962672
N-methylpent-4-yn-1-amine;hydrochloride
CID 119099161
N,N'-bis[3-(ethylamino)propyl]but-2-yne-1,4-diamine;tetrahydrochloride
CID 169425811
N,N'-diethylpentane-1,5-diamine
CID 15013244
N-ethoxypent-4-yn-1-amine
CID 115872746
N',N'-diethyl-N-hex-5-ynylethane-1,2-diamine
CID 106211426
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-(cyclopropylmethyl)pent-4-yn-1-amine
CID 115656515
CID 172706336
CID 172706336
3-[(hex-5-ynylamino)methyl]pentan-3-ol
CID 106211950
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925

Frequently Asked Questions

What is the IUPAC name of N-ethylpent-4-yn-1-amine?
The IUPAC name of N-ethylpent-4-yn-1-amine (CID 12615597) is N-ethylpent-4-yn-1-amine.
What is the SMILES notation for N-ethylpent-4-yn-1-amine?
The canonical SMILES for N-ethylpent-4-yn-1-amine is C#CCCCNCC.
What is the InChIKey of N-ethylpent-4-yn-1-amine?
The InChIKey is NYJNTUUPMSFHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N/c1-3-5-6-7-8-4-2/h1,8H,4-7H2,2H3.
What are the key properties of N-ethylpent-4-yn-1-amine?
N-ethylpent-4-yn-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpent-4-yn-1-amine is sourced from PubChem (CID 12615597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).