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

C14H31N — CID 115854187

IUPACN-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
SMILESCCNC(CC(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-9-15-12(14(6,7)8)10-11(2)13(3,4)5/h11-12,15H,9-10H2,1-8H3
InChIKeyKSFIZVUEWMBBAX-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.08
Rot. Bonds4

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

N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine (PubChem CID 115854187) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine.

Molecular Properties

Compound NameN-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
PubChem CID115854187
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC NameN-ethyl-2,2,5,6,6-pentamethylheptan-3-amine
SMILESCCNC(CC(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H31N/c1-9-15-12(14(6,7)8)10-11(2)13(3,4)5/h11-12,15H,9-10H2,1-8H3
InChIKeyKSFIZVUEWMBBAX-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,5,6,6-tetramethylheptan-3-amine
CID 114978235
1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
1-butan-2-ylsulfanyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64614447
N-ethyl-5,6,6-trimethylhept-1-yn-3-amine
CID 104995359
N-ethyl-2,2,5-trimethylhex-5-en-3-amine
CID 79179373
N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine
CID 115855755
4,5,5-trimethyl-N-propylhexan-2-amine
CID 64718550
N-ethyl-1-methoxy-6,7,7-trimethyloctan-4-amine
CID 105054759
3-N-ethyl-4,4-dimethyl-1-N,1-N-bis(2-methylpropyl)pentane-1,3-diamine
CID 63494212
5,6,6-trimethyl-N-propylhept-1-en-3-amine
CID 105000976
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-3-amine
CID 103502662

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine?
The IUPAC name of N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine (CID 115854187) is N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine.
What is the SMILES notation for N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine?
The canonical SMILES for N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine is CCNC(CC(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine?
The InChIKey is KSFIZVUEWMBBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-9-15-12(14(6,7)8)10-11(2)13(3,4)5/h11-12,15H,9-10H2,1-8H3.
What are the key properties of N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine?
N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine has a molecular weight of 213.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,5,6,6-pentamethylheptan-3-amine is sourced from PubChem (CID 115854187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).