N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine

C22H45N — CID 123439977

IUPACN,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine
SMILESCCCCC(C)CC=CCCN(C)C(C)CC(C)CC(C)(C)C
InChIInChI=1S/C22H45N/c1-9-10-14-19(2)15-12-11-13-16-23(8)21(4)17-20(3)18-22(5,6)7/h11-12,19-21H,9-10,13-18H2,1-8H3
InChIKeyXHNSNHJFADMJKN-UHFFFAOYSA-N
MW323.61 g/mol
LogP6.93
Rot. Bonds12

About N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine

N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine (PubChem CID 123439977) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine
PubChem CID123439977
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC NameN,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine
SMILESCCCCC(C)CC=CCCN(C)C(C)CC(C)CC(C)(C)C
InChIInChI=1S/C22H45N/c1-9-10-14-19(2)15-12-11-13-16-23(8)21(4)17-20(3)18-22(5,6)7/h11-12,19-21H,9-10,13-18H2,1-8H3
InChIKeyXHNSNHJFADMJKN-UHFFFAOYSA-N
XLogP6.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5-methyltetradec-7-ene
CID 173194503
hexane;2,2,4-trimethyloctane
CID 174278610
8-methyltridec-5-ene
CID 123857568
(E)-5,11-dimethylheptadec-8-ene
CID 173194605
(E)-10-methyloctadec-7-ene
CID 173194246
9,16-dimethyltetracos-11-ene
CID 123705440
(E)-6-methylhexadec-3-ene
CID 173194211
(E)-3,8,10,10-tetramethylundec-5-ene
CID 155643591
(E)-4,9-dimethyltetradec-6-ene
CID 173273385
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
(Z)-6,8,8-trimethylnon-3-en-1-amine
CID 129145208

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine?
The IUPAC name of N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine (CID 123439977) is N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine.
What is the SMILES notation for N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine?
The canonical SMILES for N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine is CCCCC(C)CC=CCCN(C)C(C)CC(C)CC(C)(C)C.
What is the InChIKey of N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine?
The InChIKey is XHNSNHJFADMJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N/c1-9-10-14-19(2)15-12-11-13-16-23(8)21(4)17-20(3)18-22(5,6)7/h11-12,19-21H,9-10,13-18H2,1-8H3.
What are the key properties of N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine?
N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine has a molecular weight of 323.61 g/mol, XLogP of 6.93, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(4,6,6-trimethylheptan-2-yl)dec-3-en-1-amine is sourced from PubChem (CID 123439977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).