N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine

C20H40N2 — CID 176986608

IUPACN-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCN(CCC1(C)CN(C(C)C)C1)C1CCC(C(C)C)CC1
InChIInChI=1S/C20H40N2/c1-7-21(19-10-8-18(9-11-19)16(2)3)13-12-20(6)14-22(15-20)17(4)5/h16-19H,7-15H2,1-6H3
InChIKeyMOTNYRJBAYJSDY-UHFFFAOYSA-N
MW308.55 g/mol
LogP4.64
Rot. Bonds7

About N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine

N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine (PubChem CID 176986608) has the molecular formula C20H40N2 and a molecular weight of 308.55 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
PubChem CID176986608
Molecular FormulaC20H40N2
Molecular Weight308.55 g/mol
Exact Mass308.32
IUPAC NameN-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine
SMILESCCN(CCC1(C)CN(C(C)C)C1)C1CCC(C(C)C)CC1
InChIInChI=1S/C20H40N2/c1-7-21(19-10-8-18(9-11-19)16(2)3)13-12-20(6)14-22(15-20)17(4)5/h16-19H,7-15H2,1-6H3
InChIKeyMOTNYRJBAYJSDY-UHFFFAOYSA-N
XLogP4.64
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine with MolForge

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Related Compounds

N-ethyl-1-propan-2-yl-N-propylpiperidin-4-amine
CID 142371504
N'-cyclopropyl-N'-ethyl-N-(3-propan-2-ylcyclobutyl)ethane-1,2-diamine
CID 103578407
1,4-di(propan-2-yl)piperidine
CID 21303253
N'-cyclopropyl-N'-ethyl-2-methylbutane-1,4-diamine
CID 81079659
N'-cyclopropyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60852013
2,8-di(propan-2-yl)-2-azaspiro[3.7]undecane
CID 170930119
N'-cyclopropyl-N'-ethyl-N-[1-(1-ethylpiperidin-4-yl)ethyl]ethane-1,2-diamine
CID 107922937
N-ethyl-N-(piperidin-3-ylmethyl)-4-propan-2-ylcyclohexan-1-amine
CID 106624491
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931998
3-[4-(dimethylamino)piperidin-1-yl]-N'-ethyl-N-methyl-N'-(1-propan-2-ylpiperidin-4-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)hexane-1,6-diamine
CID 146256250
(2S)-2-amino-N-[2-[cyclopropyl(ethyl)amino]ethyl]propanamide
CID 103814330
1-butan-2-yl-N,N-dimethylpiperidin-4-amine;3,3-dimethyl-1-propan-2-ylazetidine
CID 177203992

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine (CID 176986608) is N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine is CCN(CCC1(C)CN(C(C)C)C1)C1CCC(C(C)C)CC1.
What is the InChIKey of N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is MOTNYRJBAYJSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2/c1-7-21(19-10-8-18(9-11-19)16(2)3)13-12-20(6)14-22(15-20)17(4)5/h16-19H,7-15H2,1-6H3.
What are the key properties of N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine?
N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 308.55 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methyl-1-propan-2-ylazetidin-3-yl)ethyl]-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 176986608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).