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

C12H26N2 — CID 115717037

IUPAC2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine
SMILESC=CCC(C)C(C)NCC(C)N(C)C
InChIInChI=1S/C12H26N2/c1-7-8-10(2)12(4)13-9-11(3)14(5)6/h7,10-13H,1,8-9H2,2-6H3
InChIKeyDYXCPBRQOBRXQJ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.13
Rot. Bonds7

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

2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine (PubChem CID 115717037) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine
PubChem CID115717037
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine
SMILESC=CCC(C)C(C)NCC(C)N(C)C
InChIInChI=1S/C12H26N2/c1-7-8-10(2)12(4)13-9-11(3)14(5)6/h7,10-13H,1,8-9H2,2-6H3
InChIKeyDYXCPBRQOBRXQJ-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.13
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)butane-1,2-diamine
CID 115714111
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
(3S)-N,3-dimethylhex-5-en-2-amine
CID 163651135
1-N-hept-6-en-3-yl-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717053
5-bromo-4-methylhex-1-ene
CID 78976582
methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate
CID 79397662
1-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 115717048
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
N-[(4,5-dimethylthiophen-2-yl)methyl]-3-methylhex-5-en-2-amine
CID 115891774

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine (CID 115717037) is 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine is C=CCC(C)C(C)NCC(C)N(C)C.
What is the InChIKey of 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine?
The InChIKey is DYXCPBRQOBRXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-7-8-10(2)12(4)13-9-11(3)14(5)6/h7,10-13H,1,8-9H2,2-6H3.
What are the key properties of 2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine?
2-N,2-N-dimethyl-1-N-(3-methylhex-5-en-2-yl)propane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.13, 7 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)propane-1,2-diamine is sourced from PubChem (CID 115717037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).