N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine

C21H43N — CID 135227484

IUPACN,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine
SMILESCCCCCC(C)[C@H](CC)N(C)C1(C)CCCCCCC1C
InChIInChI=1S/C21H43N/c1-7-9-12-15-18(3)20(8-2)22(6)21(5)17-14-11-10-13-16-19(21)4/h18-20H,7-17H2,1-6H3/t18?,19?,20-,21?/m0/s1
InChIKeyLRINWDHUAUGWEW-WVEVRRLPSA-N
MW309.58 g/mol
LogP6.66
Rot. Bonds8

About N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine

N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine (PubChem CID 135227484) has the molecular formula C21H43N and a molecular weight of 309.58 g/mol. Its IUPAC name is N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine.

Molecular Properties

Compound NameN,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine
PubChem CID135227484
Molecular FormulaC21H43N
Molecular Weight309.58 g/mol
Exact Mass309.34
IUPAC NameN,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine
SMILESCCCCCC(C)[C@H](CC)N(C)C1(C)CCCCCCC1C
InChIInChI=1S/C21H43N/c1-7-9-12-15-18(3)20(8-2)22(6)21(5)17-14-11-10-13-16-19(21)4/h18-20H,7-17H2,1-6H3/t18?,19?,20-,21?/m0/s1
InChIKeyLRINWDHUAUGWEW-WVEVRRLPSA-N
XLogP6.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.58
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N,4-trimethylnonan-3-amine
CID 123453361
1-(1,2-dimethylcyclohexyl)octadecan-1-amine;hydrate
CID 173347231
1-butyl-2-methyl-1-octan-2-ylcyclohexane
CID 163529838
4,5-dimethyldecan-3-ylcyclopentane
CID 167499527
1-butyl-2-methyl-1-propan-2-ylcyclohexane
CID 174787138
1-(4-butan-2-ylnonan-2-yl)-2-methylcycloheptane
CID 123447024
3-(9-ethyl-5,6-dimethylpentadecan-8-yl)-1,1-dimethylcycloheptane
CID 123304712
1-[1-(dimethylamino)cycloheptyl]nonan-1-ol
CID 79074118
1,1-dimethoxy-2-octylcyclododecane
CID 134883102
2-heptyl-1,1-dimethylcycloundecane
CID 174977900
1-butyl-1-(1-butyl-2-methylcyclohexyl)sulfanyl-2-methylcyclohexane
CID 141375893
3,4-dimethyldecane;ethane
CID 170980289

Frequently Asked Questions

What is the IUPAC name of N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine?
The IUPAC name of N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine (CID 135227484) is N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine.
What is the SMILES notation for N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine?
The canonical SMILES for N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine is CCCCCC(C)[C@H](CC)N(C)C1(C)CCCCCCC1C.
What is the InChIKey of N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine?
The InChIKey is LRINWDHUAUGWEW-WVEVRRLPSA-N. The full InChI is InChI=1S/C21H43N/c1-7-9-12-15-18(3)20(8-2)22(6)21(5)17-14-11-10-13-16-19(21)4/h18-20H,7-17H2,1-6H3/t18?,19?,20-,21?/m0/s1.
What are the key properties of N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine?
N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine has a molecular weight of 309.58 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine is sourced from PubChem (CID 135227484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).