N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine

C18H32N2 — CID 163258681

IUPACN-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine
SMILESCCN1CCCCC1CN(CC1=CC=CCC1)C(C)C
InChIInChI=1S/C18H32N2/c1-4-19-13-9-8-12-18(19)15-20(16(2)3)14-17-10-6-5-7-11-17/h5-6,10,16,18H,4,7-9,11-15H2,1-3H3
InChIKeyVRWXRENYAOQDFK-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.85
Rot. Bonds6

About N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine

N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine (PubChem CID 163258681) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine
PubChem CID163258681
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine
SMILESCCN1CCCCC1CN(CC1=CC=CCC1)C(C)C
InChIInChI=1S/C18H32N2/c1-4-19-13-9-8-12-18(19)15-20(16(2)3)14-17-10-6-5-7-11-17/h5-6,10,16,18H,4,7-9,11-15H2,1-3H3
InChIKeyVRWXRENYAOQDFK-UHFFFAOYSA-N
XLogP3.85
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine with MolForge

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Related Compounds

N-ethyl-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine
CID 163258347
1-ethyl-2-(2-methylpropyl)piperidine
CID 58904573
N-[(1-ethylpiperidin-2-yl)methyl]-N-propylpropan-1-amine
CID 151585652
1,2-diethylpiperidine
CID 19604037
1-(1-ethylpiperidin-2-yl)propan-2-ol
CID 21153789
2-[(2R)-2-[[benzyl(propan-2-yl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554342
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-propan-2-ylethane-1,2-diamine
CID 96552855
2-(2-bromopropyl)-1-ethylpiperidine
CID 126979306
N-[[4-(aminomethyl)phenyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79303419
1-(1-ethylpiperidin-2-yl)-3-methylbutan-2-amine
CID 83982203
N-[(1-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 163258007
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]cyclopentan-1-one
CID 79642708

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine?
The IUPAC name of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine (CID 163258681) is N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine is CCN1CCCCC1CN(CC1=CC=CCC1)C(C)C.
What is the InChIKey of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine?
The InChIKey is VRWXRENYAOQDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-4-19-13-9-8-12-18(19)15-20(16(2)3)14-17-10-6-5-7-11-17/h5-6,10,16,18H,4,7-9,11-15H2,1-3H3.
What are the key properties of N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine?
N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine has a molecular weight of 276.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,3-dien-1-ylmethyl)-N-[(1-ethylpiperidin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 163258681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).