4-(aminomethyl)hex-3-ene-1,3,6-triamine

C7H18N4 — CID 173385584

IUPAC4-(aminomethyl)hex-3-ene-1,3,6-triamine
SMILESNCCC(N)=C(CN)CCN
InChIInChI=1S/C7H18N4/c8-3-1-6(5-10)7(11)2-4-9/h1-5,8-11H2
InChIKeyNATWFOXOOSGVON-UHFFFAOYSA-N
MW158.25 g/mol
LogP-1.14
Rot. Bonds5

About 4-(aminomethyl)hex-3-ene-1,3,6-triamine

4-(aminomethyl)hex-3-ene-1,3,6-triamine (PubChem CID 173385584) has the molecular formula C7H18N4 and a molecular weight of 158.25 g/mol. Its IUPAC name is 4-(aminomethyl)hex-3-ene-1,3,6-triamine.

Molecular Properties

Compound Name4-(aminomethyl)hex-3-ene-1,3,6-triamine
PubChem CID173385584
Molecular FormulaC7H18N4
Molecular Weight158.25 g/mol
Exact Mass158.15
IUPAC Name4-(aminomethyl)hex-3-ene-1,3,6-triamine
SMILESNCCC(N)=C(CN)CCN
InChIInChI=1S/C7H18N4/c8-3-1-6(5-10)7(11)2-4-9/h1-5,8-11H2
InChIKeyNATWFOXOOSGVON-UHFFFAOYSA-N
XLogP-1.14
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 5-1.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-ethylbut-2-ene-1,3-diamine
CID 156140272
(2Z,5E)-5-methylhepta-2,5-diene-2,3,4,6-tetramine
CID 164080574
4-Methylpent-3-ene-1,3-diamine
CID 167052485
2-Ethylpent-2-ene-1,3-diamine
CID 173162186
Hept-3-ene-1,3,4,7-tetramine
CID 173227942
5-(Aminomethyl)oct-4-ene-1,4,8-triamine
CID 173275326
Hex-3-ene-1,3,4,6-tetramine
CID 173366360
5-Methylhex-4-ene-1,4-diamine
CID 174962956
(E)-3-methylpent-3-ene-1,4-diamine
CID 88212431

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)hex-3-ene-1,3,6-triamine?
The IUPAC name of 4-(aminomethyl)hex-3-ene-1,3,6-triamine (CID 173385584) is 4-(aminomethyl)hex-3-ene-1,3,6-triamine.
What is the SMILES notation for 4-(aminomethyl)hex-3-ene-1,3,6-triamine?
The canonical SMILES for 4-(aminomethyl)hex-3-ene-1,3,6-triamine is NCCC(N)=C(CN)CCN.
What is the InChIKey of 4-(aminomethyl)hex-3-ene-1,3,6-triamine?
The InChIKey is NATWFOXOOSGVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4/c8-3-1-6(5-10)7(11)2-4-9/h1-5,8-11H2.
What are the key properties of 4-(aminomethyl)hex-3-ene-1,3,6-triamine?
4-(aminomethyl)hex-3-ene-1,3,6-triamine has a molecular weight of 158.25 g/mol, XLogP of -1.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)hex-3-ene-1,3,6-triamine is sourced from PubChem (CID 173385584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).