N-tert-butylcyclohexa-2,4-dien-1-amine

C10H17N — CID 163304619

IUPACN-tert-butylcyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)NC1C=CC=CC1
InChIInChI=1S/C10H17N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-7,9,11H,8H2,1-3H3
InChIKeyFDQNBFDSPQCFRL-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.26
Rot. Bonds1

About N-tert-butylcyclohexa-2,4-dien-1-amine

N-tert-butylcyclohexa-2,4-dien-1-amine (PubChem CID 163304619) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is N-tert-butylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-tert-butylcyclohexa-2,4-dien-1-amine
PubChem CID163304619
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC NameN-tert-butylcyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)NC1C=CC=CC1
InChIInChI=1S/C10H17N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-7,9,11H,8H2,1-3H3
InChIKeyFDQNBFDSPQCFRL-UHFFFAOYSA-N
XLogP2.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
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2,2-Dimethyl-1,2,3,6-tetrahydropyridine hydrochloride
CID 146082401
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
rac-(2R,6R)-2,6-diallyl-1,2,3,6-tetrahydropyridine
CID 2832191
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
rac-(2R,6R)-2-allyl-6-methyl-1,2,3,6-tetrahydropyridine
CID 3600922
(2S,6S)-2,6-di(prop-2-en-1-yl)-1,2,3,6-tetrahydropyridine
CID 6353401
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
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Pyridine, 3-ethyl-1,2,5,6-tetrahydro-6-methyl-
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Frequently Asked Questions

What is the IUPAC name of N-tert-butylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N-tert-butylcyclohexa-2,4-dien-1-amine (CID 163304619) is N-tert-butylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-tert-butylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-tert-butylcyclohexa-2,4-dien-1-amine is CC(C)(C)NC1C=CC=CC1.
What is the InChIKey of N-tert-butylcyclohexa-2,4-dien-1-amine?
The InChIKey is FDQNBFDSPQCFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-10(2,3)11-9-7-5-4-6-8-9/h4-7,9,11H,8H2,1-3H3.
What are the key properties of N-tert-butylcyclohexa-2,4-dien-1-amine?
N-tert-butylcyclohexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 163304619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).