N-(2-aminoethyl)pent-4-ynamide

C7H12N2O — CID 103840698

IUPACN-(2-aminoethyl)pent-4-ynamide
SMILESC#CCCC(=O)NCCN
InChIInChI=1S/C7H12N2O/c1-2-3-4-7(10)9-6-5-8/h1H,3-6,8H2,(H,9,10)
InChIKeyPOFFTCFXZMQRPW-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.53
Rot. Bonds4

About N-(2-aminoethyl)pent-4-ynamide

N-(2-aminoethyl)pent-4-ynamide (PubChem CID 103840698) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is N-(2-aminoethyl)pent-4-ynamide.

Molecular Properties

Compound NameN-(2-aminoethyl)pent-4-ynamide
PubChem CID103840698
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC NameN-(2-aminoethyl)pent-4-ynamide
SMILESC#CCCC(=O)NCCN
InChIInChI=1S/C7H12N2O/c1-2-3-4-7(10)9-6-5-8/h1H,3-6,8H2,(H,9,10)
InChIKeyPOFFTCFXZMQRPW-UHFFFAOYSA-N
XLogP-0.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxybutyl)pent-4-ynamide
CID 87258816
methyl N-[2-(pent-4-ynoylamino)ethyl]carbamate
CID 123603019
6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
CID 65291291
N-but-3-ynylhex-5-ynamide
CID 10630847
N-(2-aminoethyl)-2-(prop-2-ynylamino)acetamide
CID 79287786
6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
CID 106213131
methanamine;N-methylpent-4-ynamide
CID 160899629
N-(2-aminoethyl)butanamide;ethane
CID 143117924
ethyl (2S)-2,6-bis(pent-4-ynoylamino)hexanoate
CID 156882157
N-(5-hydroxy-4-methylpentyl)pent-4-ynamide
CID 106155721
N-(4-azidobutyl)pent-4-ynamide
CID 106386752
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl]amino]propanamide;bis(ethane-1,2-diamine)
CID 159293879

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)pent-4-ynamide?
The IUPAC name of N-(2-aminoethyl)pent-4-ynamide (CID 103840698) is N-(2-aminoethyl)pent-4-ynamide.
What is the SMILES notation for N-(2-aminoethyl)pent-4-ynamide?
The canonical SMILES for N-(2-aminoethyl)pent-4-ynamide is C#CCCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)pent-4-ynamide?
The InChIKey is POFFTCFXZMQRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-4-7(10)9-6-5-8/h1H,3-6,8H2,(H,9,10).
What are the key properties of N-(2-aminoethyl)pent-4-ynamide?
N-(2-aminoethyl)pent-4-ynamide has a molecular weight of 140.19 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)pent-4-ynamide is sourced from PubChem (CID 103840698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).