3-(aminomethyl)hexane-1,2,6-triamine

C7H20N4 — CID 90942747

IUPAC3-(aminomethyl)hexane-1,2,6-triamine
SMILESNCCCC(CN)C(N)CN
InChIInChI=1S/C7H20N4/c8-3-1-2-6(4-9)7(11)5-10/h6-7H,1-5,8-11H2
InChIKeyDTOUSULEBUDJHY-UHFFFAOYSA-N
MW160.26 g/mol
LogP-1.41
Rot. Bonds6

About 3-(aminomethyl)hexane-1,2,6-triamine

3-(aminomethyl)hexane-1,2,6-triamine (PubChem CID 90942747) has the molecular formula C7H20N4 and a molecular weight of 160.26 g/mol. Its IUPAC name is 3-(aminomethyl)hexane-1,2,6-triamine.

Molecular Properties

Compound Name3-(aminomethyl)hexane-1,2,6-triamine
PubChem CID90942747
Molecular FormulaC7H20N4
Molecular Weight160.26 g/mol
Exact Mass160.17
IUPAC Name3-(aminomethyl)hexane-1,2,6-triamine
SMILESNCCCC(CN)C(N)CN
InChIInChI=1S/C7H20N4/c8-3-1-2-6(4-9)7(11)5-10/h6-7H,1-5,8-11H2
InChIKeyDTOUSULEBUDJHY-UHFFFAOYSA-N
XLogP-1.41
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-propan-2-yloctan-1-amine
CID 126657786
tridecane-1,4,7,10,13-pentamine
CID 86224803
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
5,5-difluoropentane-1,4-diamine;hydrochloride
CID 22752191
octane-1,4,8-triamine
CID 18544198
(6R,7S)-dodecane-1,6,7,12-tetramine
CID 124604183
octadecane-1,6,7,18-tetramine
CID 56630973
2-(aminomethyl)butane-1,1,4-triamine;azane
CID 87974080
2-bromopentane-1,5-diamine
CID 12531043
(4S)-4-(aminomethyl)octane-1,8-diamine
CID 86309254
heptane-1,1,1,3,4,7-hexamine
CID 141412605
hept-6-yne-1,4-diamine
CID 174445118

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)hexane-1,2,6-triamine?
The IUPAC name of 3-(aminomethyl)hexane-1,2,6-triamine (CID 90942747) is 3-(aminomethyl)hexane-1,2,6-triamine.
What is the SMILES notation for 3-(aminomethyl)hexane-1,2,6-triamine?
The canonical SMILES for 3-(aminomethyl)hexane-1,2,6-triamine is NCCCC(CN)C(N)CN.
What is the InChIKey of 3-(aminomethyl)hexane-1,2,6-triamine?
The InChIKey is DTOUSULEBUDJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H20N4/c8-3-1-2-6(4-9)7(11)5-10/h6-7H,1-5,8-11H2.
What are the key properties of 3-(aminomethyl)hexane-1,2,6-triamine?
3-(aminomethyl)hexane-1,2,6-triamine has a molecular weight of 160.26 g/mol, XLogP of -1.41, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)hexane-1,2,6-triamine is sourced from PubChem (CID 90942747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).