2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine

C10H22N4 — CID 91421365

IUPAC2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine
SMILESNCC=CCNC1CC(N)CCC1N
InChIInChI=1S/C10H22N4/c11-5-1-2-6-14-10-7-8(12)3-4-9(10)13/h1-2,8-10,14H,3-7,11-13H2
InChIKeyNZDLEMSMYCIONC-UHFFFAOYSA-N
MW198.31 g/mol
LogP-0.70
Rot. Bonds4

About 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine

2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine (PubChem CID 91421365) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine.

Molecular Properties

Compound Name2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine
PubChem CID91421365
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine
SMILESNCC=CCNC1CC(N)CCC1N
InChIInChI=1S/C10H22N4/c11-5-1-2-6-14-10-7-8(12)3-4-9(10)13/h1-2,8-10,14H,3-7,11-13H2
InChIKeyNZDLEMSMYCIONC-UHFFFAOYSA-N
XLogP-0.70
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 5-0.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-N-methylcyclohexane-1,3-diamine
CID 168995405
trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine
CID 167427252
cis-(1S,2R)-4-(aminomethyl)cyclohexane-1,2-diamine
CID 58874381
(2S)-2-[(Z)-6-aminohex-4-enyl]cyclopropan-1-amine
CID 156542352
(3-aminocyclopentyl)methanol
CID 14016457
[(4R)-4-amino-2-(methoxymethyl)cyclohexyl]carbamic acid
CID 69286669
3-N-[(3-amino-2-methylcyclohexyl)methyl]-4-methylcyclohexane-1,3-diamine
CID 138507643
[2-[[(E)-but-2-enyl]amino]cyclopentyl]methanol
CID 106360609
4-cyclohexylbut-2-en-1-amine;hydrochloride
CID 67913983
cyclohexane-1,4-diamine;ethane-1,2-diamine
CID 70127275
4-prop-2-enylcyclohexane-1,3-diamine
CID 66809827
3-N-(3-ethyl-2-methylcyclopentyl)cyclopentane-1,3-diamine
CID 79462176

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine?
The IUPAC name of 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine (CID 91421365) is 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine.
What is the SMILES notation for 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine?
The canonical SMILES for 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine is NCC=CCNC1CC(N)CCC1N.
What is the InChIKey of 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine?
The InChIKey is NZDLEMSMYCIONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c11-5-1-2-6-14-10-7-8(12)3-4-9(10)13/h1-2,8-10,14H,3-7,11-13H2.
What are the key properties of 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine?
2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine has a molecular weight of 198.31 g/mol, XLogP of -0.70, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminobut-2-enyl)cyclohexane-1,2,4-triamine is sourced from PubChem (CID 91421365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).