N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine

C20H41N — CID 123644538

IUPACN,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine
SMILESCCCC(CC)C(C)CCCCN(CC)CCC1CC1C
InChIInChI=1S/C20H41N/c1-6-11-19(7-2)17(4)12-9-10-14-21(8-3)15-13-20-16-18(20)5/h17-20H,6-16H2,1-5H3
InChIKeyIHBULPTUDHYPDY-UHFFFAOYSA-N
MW295.56 g/mol
LogP5.99
Rot. Bonds13

About N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine

N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine (PubChem CID 123644538) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine.

Molecular Properties

Compound NameN,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine
PubChem CID123644538
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC NameN,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine
SMILESCCCC(CC)C(C)CCCCN(CC)CCC1CC1C
InChIInChI=1S/C20H41N/c1-6-11-19(7-2)17(4)12-9-10-14-21(8-3)15-13-20-16-18(20)5/h17-20H,6-16H2,1-5H3
InChIKeyIHBULPTUDHYPDY-UHFFFAOYSA-N
XLogP5.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 55.99
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

1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
CID 123890529
N-ethyl-N-[2-(2-methylcyclopropyl)ethyl]propan-1-amine
CID 167163238
6-ethyl-2,5-dimethylnonane
CID 54499682
9-ethyl-3,8-dimethyl-4-propyldodecane
CID 142338103
1-(5-ethyl-7-methyldecyl)-2-methylcyclopropane
CID 123168355
7-ethyl-3,6-dimethyldecane
CID 57491785
8-ethyl-7-methylhexadecane
CID 56974440
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
ethane;1-methyl-2-propylcyclopropane
CID 144710386
4,8-diethyl-5-methylundecane
CID 59928875
3,4-diethylheptane;ethane
CID 144734225
4,5-diethyloctane
CID 519254

Frequently Asked Questions

What is the IUPAC name of N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine?
The IUPAC name of N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine (CID 123644538) is N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine.
What is the SMILES notation for N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine?
The canonical SMILES for N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine is CCCC(CC)C(C)CCCCN(CC)CCC1CC1C.
What is the InChIKey of N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine?
The InChIKey is IHBULPTUDHYPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-6-11-19(7-2)17(4)12-9-10-14-21(8-3)15-13-20-16-18(20)5/h17-20H,6-16H2,1-5H3.
What are the key properties of N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine?
N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine has a molecular weight of 295.56 g/mol, XLogP of 5.99, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-diethyl-5-methyl-N-[2-(2-methylcyclopropyl)ethyl]nonan-1-amine is sourced from PubChem (CID 123644538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).