N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine

C15H31NO — CID 115855755

IUPACN-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C15H31NO/c1-6-16-14(11-12(2)15(3,4)5)13-7-9-17-10-8-13/h12-14,16H,6-11H2,1-5H3
InChIKeyQNOQFVNTYUZZSN-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.46
Rot. Bonds5

About N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine

N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine (PubChem CID 115855755) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine
PubChem CID115855755
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine
SMILESCCNC(CC(C)C(C)(C)C)C1CCOCC1
InChIInChI=1S/C15H31NO/c1-6-16-14(11-12(2)15(3,4)5)13-7-9-17-10-8-13/h12-14,16H,6-11H2,1-5H3
InChIKeyQNOQFVNTYUZZSN-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 104994066
1-cyclopentyl-N-ethyl-3,4,4-trimethylpentan-1-amine
CID 115778397
3,4,4-trimethyl-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 107139233
N-ethyl-4-methylsulfonyl-1-(oxan-4-yl)butan-1-amine
CID 65334712
1-cyclopropyl-N-ethyl-2-(oxan-4-yl)ethanamine
CID 62600215
N-ethyl-3-methyl-1-(oxan-4-yl)but-3-en-1-amine
CID 79186658
N-ethyl-1-(oxan-4-yl)dodecan-1-amine
CID 115855998
N-[cyclobutyl(oxan-4-yl)methyl]ethanamine
CID 64986695
N-ethyl-3-methylidene-1-(oxan-4-yl)pentan-1-amine
CID 66038051
N-ethyl-1-(oxan-4-yl)-2-propylsulfanylethanamine
CID 65129097
4,5,5-trimethyl-1-(oxan-4-yl)hexan-2-ol
CID 115789666
1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
CID 113448631

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine?
The IUPAC name of N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine (CID 115855755) is N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine is CCNC(CC(C)C(C)(C)C)C1CCOCC1.
What is the InChIKey of N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine?
The InChIKey is QNOQFVNTYUZZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-16-14(11-12(2)15(3,4)5)13-7-9-17-10-8-13/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine?
N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4,4-trimethyl-1-(oxan-4-yl)pentan-1-amine is sourced from PubChem (CID 115855755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).