1-N'-(3-aminopropyl)but-3-ene-1,1-diamine

C7H17N3 — CID 89404762

IUPAC1-N'-(3-aminopropyl)but-3-ene-1,1-diamine
SMILESC=CCC(N)NCCCN
InChIInChI=1S/C7H17N3/c1-2-4-7(9)10-6-3-5-8/h2,7,10H,1,3-6,8-9H2
InChIKeyITFTWUPMKUNDDH-UHFFFAOYSA-N
MW143.23 g/mol
LogP-0.21
Rot. Bonds6

About 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine

1-N'-(3-aminopropyl)but-3-ene-1,1-diamine (PubChem CID 89404762) has the molecular formula C7H17N3 and a molecular weight of 143.23 g/mol. Its IUPAC name is 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine.

Molecular Properties

Compound Name1-N'-(3-aminopropyl)but-3-ene-1,1-diamine
PubChem CID89404762
Molecular FormulaC7H17N3
Molecular Weight143.23 g/mol
Exact Mass143.14
IUPAC Name1-N'-(3-aminopropyl)but-3-ene-1,1-diamine
SMILESC=CCC(N)NCCCN
InChIInChI=1S/C7H17N3/c1-2-4-7(9)10-6-3-5-8/h2,7,10H,1,3-6,8-9H2
InChIKeyITFTWUPMKUNDDH-UHFFFAOYSA-N
XLogP-0.21
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-N'-(6-aminohexyl)hexane-1,1,6-triamine
CID 123601298
2-prop-2-enylhexane-1,6-diamine
CID 89126683
4-prop-2-enylhept-6-en-1-amine;hydrochloride
CID 87790253
N'-(1-aminoethyl)butane-1,4-diamine
CID 21119792
3-(2-methylhex-5-en-3-ylamino)propan-1-ol
CID 2772048
ethyl 7-amino-7-(3-aminopropylamino)heptanoate
CID 88634867
pent-4-ene-1,2-diamine;silane
CID 174886622
1-N'-(2-aminoethyl)ethane-1,1,2-triamine;hydrate
CID 87385834
1-N'-butylprop-2-ene-1,1-diamine
CID 130279895
CID 158321019
CID 158321019
N'-pent-4-enylbutane-1,4-diamine
CID 89325974
N-hepta-1,6-dien-4-yldodecan-1-amine;hydrochloride
CID 175149867

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine?
The IUPAC name of 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine (CID 89404762) is 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine.
What is the SMILES notation for 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine?
The canonical SMILES for 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine is C=CCC(N)NCCCN.
What is the InChIKey of 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine?
The InChIKey is ITFTWUPMKUNDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3/c1-2-4-7(9)10-6-3-5-8/h2,7,10H,1,3-6,8-9H2.
What are the key properties of 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine?
1-N'-(3-aminopropyl)but-3-ene-1,1-diamine has a molecular weight of 143.23 g/mol, XLogP of -0.21, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3-aminopropyl)but-3-ene-1,1-diamine is sourced from PubChem (CID 89404762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).