N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine

C14H30N2 — CID 138495118

IUPACN'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine
SMILESCCC(C)CCC(C)/C=C\C(C)N(C)CN
InChIInChI=1S/C14H30N2/c1-6-12(2)7-8-13(3)9-10-14(4)16(5)11-15/h9-10,12-14H,6-8,11,15H2,1-5H3/b10-9-
InChIKeyFNVNGJRZQXONCT-KTKRTIGZSA-N
MW226.41 g/mol
LogP3.24
Rot. Bonds8

About N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine

N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine (PubChem CID 138495118) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine.

Molecular Properties

Compound NameN'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine
PubChem CID138495118
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine
SMILESCCC(C)CCC(C)/C=C\C(C)N(C)CN
InChIInChI=1S/C14H30N2/c1-6-12(2)7-8-13(3)9-10-14(4)16(5)11-15/h9-10,12-14H,6-8,11,15H2,1-5H3/b10-9-
InChIKeyFNVNGJRZQXONCT-KTKRTIGZSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,7-dimethylnon-2-enal
CID 91082356
N'-but-3-en-2-yl-N'-methylmethanediamine
CID 174577366
N-ethyl-N,5-dimethylheptan-2-amine
CID 91289323
N'-methyl-N'-pentan-3-ylmethanediamine
CID 58780835
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
3,6,7,10-tetramethyldodec-1-ene
CID 143243689
4,8-dimethyldec-2-ene
CID 123622990
1-N,1-N,3-N-trimethyl-3-N-(3-methylpentyl)butane-1,3-diamine
CID 166139395
5-methylheptan-2-amine;hydrochloride
CID 127255592
(3R)-N,3-dimethyl-N-propan-2-ylpentan-1-amine;hydrofluoride
CID 176934799
1-amino-5-methylheptan-2-ol
CID 54546021
3,6-dimethyloct-4-ene
CID 73165576

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine?
The IUPAC name of N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine (CID 138495118) is N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine.
What is the SMILES notation for N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine?
The canonical SMILES for N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine is CCC(C)CCC(C)/C=C\C(C)N(C)CN.
What is the InChIKey of N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine?
The InChIKey is FNVNGJRZQXONCT-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H30N2/c1-6-12(2)7-8-13(3)9-10-14(4)16(5)11-15/h9-10,12-14H,6-8,11,15H2,1-5H3/b10-9-.
What are the key properties of N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine?
N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine has a molecular weight of 226.41 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-5,8-dimethyldec-3-en-2-yl]-N'-methylmethanediamine is sourced from PubChem (CID 138495118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).