2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine

C13H28N2 — CID 115714111

IUPAC2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine
SMILESC=CCC(C)C(C)NCC(CC)N(C)C
InChIInChI=1S/C13H28N2/c1-7-9-11(3)12(4)14-10-13(8-2)15(5)6/h7,11-14H,1,8-10H2,2-6H3
InChIKeyFIDHGJKCCPZQIF-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.52
Rot. Bonds8

About 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine

2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine (PubChem CID 115714111) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine
PubChem CID115714111
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine
SMILESC=CCC(C)C(C)NCC(CC)N(C)C
InChIInChI=1S/C13H28N2/c1-7-9-11(3)12(4)14-10-13(8-2)15(5)6/h7,11-14H,1,8-10H2,2-6H3
InChIKeyFIDHGJKCCPZQIF-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
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
1-cyclopropyl-N,N-dimethyl-N'-(3-methylhex-5-en-2-yl)ethane-1,2-diamine
CID 115710225
4-methyl-1-(3-methylhex-5-en-2-ylamino)pentan-2-ol
CID 115714778
2-N,2-N-dimethyl-1-N-pentan-3-ylbutane-1,2-diamine
CID 115714146
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
4,5,6-trimethyloct-1-ene
CID 91354249
3-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]hex-5-en-2-amine
CID 115891206
3-methyl-N-(thiophen-3-ylmethyl)hex-5-en-2-amine
CID 115709542
1-N,1-N,2-N,2-N-tetramethylpent-4-ene-1,2-diamine
CID 145347073
N,N-dimethyloct-7-en-3-amine
CID 142842178
2-N,2-N-diethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62439025
2-N,2-N-dimethyl-1-N-(1-pyridin-4-ylethyl)butane-1,2-diamine
CID 115880420

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine (CID 115714111) is 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine is C=CCC(C)C(C)NCC(CC)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine?
The InChIKey is FIDHGJKCCPZQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-7-9-11(3)12(4)14-10-13(8-2)15(5)6/h7,11-14H,1,8-10H2,2-6H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine has a molecular weight of 212.38 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 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)butane-1,2-diamine is sourced from PubChem (CID 115714111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).