N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine

C14H29N — CID 177048522

IUPACN-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine
SMILESCCN(C(C)C)C1CCCC(C(C)C)C1
InChIInChI=1S/C14H29N/c1-6-15(12(4)5)14-9-7-8-13(10-14)11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyHSTMWHKJNFIVEZ-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.93
Rot. Bonds4

About N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine

N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine (PubChem CID 177048522) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine
PubChem CID177048522
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine
SMILESCCN(C(C)C)C1CCCC(C(C)C)C1
InChIInChI=1S/C14H29N/c1-6-15(12(4)5)14-9-7-8-13(10-14)11(2)3/h11-14H,6-10H2,1-5H3
InChIKeyHSTMWHKJNFIVEZ-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-di(propan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 107449580
N-ethyl-N-propan-2-ylcyclohexanamine;iodomethane
CID 143070375
N-ethyl-N-propan-2-ylthian-3-amine
CID 127009584
propane;propan-2-ylcyclopentane
CID 91615250
4-N-(3-propan-2-ylcyclohexyl)-4-N-propylcyclohexane-1,4-diamine
CID 107449541
N-ethyl-N-(piperidin-3-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449593
N'-methyl-N'-(3-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 107449565
ethane;N-ethyl-3-methylidene-N-propan-2-ylcyclohexan-1-amine
CID 177204189
N-ethyl-N-propan-2-ylazetidin-3-amine
CID 21024113
1-N-(2-methylpropyl)-1-N-propan-2-ylcyclohexane-1,3-diamine
CID 79469037
4-N-methyl-4-N-(3-propan-2-ylcyclohexyl)cyclohexane-1,4-diamine
CID 107449539
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine (CID 177048522) is N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine is CCN(C(C)C)C1CCCC(C(C)C)C1.
What is the InChIKey of N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine?
The InChIKey is HSTMWHKJNFIVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-15(12(4)5)14-9-7-8-13(10-14)11(2)3/h11-14H,6-10H2,1-5H3.
What are the key properties of N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine?
N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,3-di(propan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 177048522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).