N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine

C16H32N2 — CID 113428540

IUPACN-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(CC1CCC(C(C)(C)C)CC1)C1CNC1
InChIInChI=1S/C16H32N2/c1-5-18(15-10-17-11-15)12-13-6-8-14(9-7-13)16(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyPVTPMQHPXUKTNQ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

About N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine

N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine (PubChem CID 113428540) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine
PubChem CID113428540
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine
SMILESCCN(CC1CCC(C(C)(C)C)CC1)C1CNC1
InChIInChI=1S/C16H32N2/c1-5-18(15-10-17-11-15)12-13-6-8-14(9-7-13)16(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyPVTPMQHPXUKTNQ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-tert-butylcyclohexyl)methyl]-N-ethylpiperidin-3-amine
CID 104575642
N-(cycloheptylmethyl)-N-ethylazetidin-3-amine
CID 66181850
N-(2-cyclopropylethyl)-N-ethylazetidin-3-amine
CID 66181540
3-[(4-tert-butylcyclohexyl)methyl]azetidine
CID 104574692
N-ethyl-N-(piperidin-4-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 79715457
N-ethyl-4-(2-methylbutan-2-yl)-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 106624584
4-tert-butyl-2-N-(cyclopropylmethyl)-1-N,2-N-diethylcyclohexane-1,2-diamine
CID 63955959
N-ethyl-N-(oxan-4-ylmethyl)pyrrolidin-3-amine
CID 63299374
4-tert-butyl-2-[cyclopropylmethyl(ethyl)amino]cyclohexane-1-carbonitrile
CID 63956800
N-[(4-tert-butylcyclohexyl)methyl]-N,2-dimethylpropan-2-amine
CID 177072321
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017
N-ethyl-N-(pyrrolidin-3-ylmethyl)cyclopropanamine
CID 62372474

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine (CID 113428540) is N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine is CCN(CC1CCC(C(C)(C)C)CC1)C1CNC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine?
The InChIKey is PVTPMQHPXUKTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-18(15-10-17-11-15)12-13-6-8-14(9-7-13)16(2,3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine?
N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 113428540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).