N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine

C18H38N2 — CID 79064855

IUPACN-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine
SMILESCCNC(CCC(C)(C)C)C(C)(CC)N1CCCCC1
InChIInChI=1S/C18H38N2/c1-7-18(6,20-14-10-9-11-15-20)16(19-8-2)12-13-17(3,4)5/h16,19H,7-15H2,1-6H3
InChIKeyCMFGKIAEGVPCJI-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.45
Rot. Bonds7

About N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine

N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine (PubChem CID 79064855) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine
PubChem CID79064855
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine
SMILESCCNC(CCC(C)(C)C)C(C)(CC)N1CCCCC1
InChIInChI=1S/C18H38N2/c1-7-18(6,20-14-10-9-11-15-20)16(19-8-2)12-13-17(3,4)5/h16,19H,7-15H2,1-6H3
InChIKeyCMFGKIAEGVPCJI-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-3-pyrrolidin-1-yloctan-4-amine
CID 79069200
(3,7,7-trimethyl-3-pyrrolidin-1-yloctan-4-yl)hydrazine
CID 105241149
N-ethyl-1-ethylsulfonyl-5-methyl-5-pyrrolidin-1-ylheptan-4-amine
CID 79059543
3-methyl-N-propyl-3-pyrrolidin-1-ylheptan-4-amine
CID 79069357
1-cyclopentyl-N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069589
N-ethyl-3-methyl-3-pyrrolidin-1-ylpentan-2-amine
CID 79069202
N,4-dimethyl-4-piperidin-1-ylhexan-3-amine
CID 79065370
N,3,7-trimethyl-3-piperidin-1-yloctan-4-amine
CID 79065446
N-ethyl-4-methyl-4-pyrrolidin-1-yl-1-thiophen-3-ylhexan-3-amine
CID 79069127
3-methyl-3-piperidin-1-yl-N-propylnon-8-en-4-amine
CID 79065087
2-(azepan-1-yl)-N,2,6,6-tetramethylheptan-3-amine
CID 79052542
1-methoxy-5-methyl-5-piperidin-1-yl-N-propylheptan-4-amine
CID 114856241

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine?
The IUPAC name of N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine (CID 79064855) is N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine.
What is the SMILES notation for N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine?
The canonical SMILES for N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine is CCNC(CCC(C)(C)C)C(C)(CC)N1CCCCC1.
What is the InChIKey of N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine?
The InChIKey is CMFGKIAEGVPCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-7-18(6,20-14-10-9-11-15-20)16(19-8-2)12-13-17(3,4)5/h16,19H,7-15H2,1-6H3.
What are the key properties of N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine?
N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine has a molecular weight of 282.52 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,7,7-trimethyl-3-piperidin-1-yloctan-4-amine is sourced from PubChem (CID 79064855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).