N-ethyl-2,5,6,6-tetramethylheptan-3-amine

C13H29N — CID 114978235

IUPACN-ethyl-2,5,6,6-tetramethylheptan-3-amine
SMILESCCNC(CC(C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H29N/c1-8-14-12(10(2)3)9-11(4)13(5,6)7/h10-12,14H,8-9H2,1-7H3
InChIKeyGSCJSGYYESAGOU-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds5

About N-ethyl-2,5,6,6-tetramethylheptan-3-amine

N-ethyl-2,5,6,6-tetramethylheptan-3-amine (PubChem CID 114978235) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-ethyl-2,5,6,6-tetramethylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,5,6,6-tetramethylheptan-3-amine
PubChem CID114978235
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-ethyl-2,5,6,6-tetramethylheptan-3-amine
SMILESCCNC(CC(C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H29N/c1-8-14-12(10(2)3)9-11(4)13(5,6)7/h10-12,14H,8-9H2,1-7H3
InChIKeyGSCJSGYYESAGOU-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Octamylamine
CID 10406
Iproheptine
CID 19917
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
N,6-Dimethyl-2-heptanamine
CID 10415
N-Isopropyl-6-methyl-2-heptylamine hydrochloride
CID 19916
Methamexamine
CID 110742
N,4,4-trimethylcyclohexan-1-amine
CID 550846
amine S-24
CID 19985237
N-(6-Methylheptan-2-yl)cyclopropanamine
CID 27731
N-(4-Methylheptan-2-yl)cyclopropanamine
CID 27732

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,5,6,6-tetramethylheptan-3-amine?
The IUPAC name of N-ethyl-2,5,6,6-tetramethylheptan-3-amine (CID 114978235) is N-ethyl-2,5,6,6-tetramethylheptan-3-amine.
What is the SMILES notation for N-ethyl-2,5,6,6-tetramethylheptan-3-amine?
The canonical SMILES for N-ethyl-2,5,6,6-tetramethylheptan-3-amine is CCNC(CC(C)C(C)(C)C)C(C)C.
What is the InChIKey of N-ethyl-2,5,6,6-tetramethylheptan-3-amine?
The InChIKey is GSCJSGYYESAGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-8-14-12(10(2)3)9-11(4)13(5,6)7/h10-12,14H,8-9H2,1-7H3.
What are the key properties of N-ethyl-2,5,6,6-tetramethylheptan-3-amine?
N-ethyl-2,5,6,6-tetramethylheptan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,5,6,6-tetramethylheptan-3-amine is sourced from PubChem (CID 114978235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).