1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine

C14H28N2 — CID 115710225

IUPAC1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine
SMILESC=CCC(C)C(C)NCC(C1CC1)N(C)C
InChIInChI=1S/C14H28N2/c1-6-7-11(2)12(3)15-10-14(16(4)5)13-8-9-13/h6,11-15H,1,7-10H2,2-5H3
InChIKeyFXALHXHACOCFIN-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.52
Rot. Bonds8

About 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine

1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine (PubChem CID 115710225) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine
PubChem CID115710225
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine
SMILESC=CCC(C)C(C)NCC(C1CC1)N(C)C
InChIInChI=1S/C14H28N2/c1-6-7-11(2)12(3)15-10-14(16(4)5)13-8-9-13/h6,11-15H,1,7-10H2,2-5H3
InChIKeyFXALHXHACOCFIN-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine
CID 115717037
2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine
CID 115714111
1-cyclopropyl-N,N-dimethyl-N'-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
CID 115710251
4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol
CID 115714778
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
1-cyclopropyl-N'-[1-(furan-3-yl)ethyl]-N,N-dimethylethane-1,2-diamine
CID 115710253
N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride
CID 115584803
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111002730
2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methylpropanamide
CID 119859184
1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115584811
3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine
CID 115891206
N-(2-cyclopropylpropyl)-3-methylbutan-2-amine
CID 115713855

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine (CID 115710225) is 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine is C=CCC(C)C(C)NCC(C1CC1)N(C)C.
What is the InChIKey of 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine?
The InChIKey is FXALHXHACOCFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-7-11(2)12(3)15-10-14(16(4)5)13-8-9-13/h6,11-15H,1,7-10H2,2-5H3.
What are the key properties of 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine?
1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine has a molecular weight of 224.39 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 115710225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).