N-hexan-2-yl-2-methoxycyclohexan-1-amine

C13H27NO — CID 62199829

IUPACN-hexan-2-yl-2-methoxycyclohexan-1-amine
SMILESCCCCC(C)NC1CCCCC1OC
InChIInChI=1S/C13H27NO/c1-4-5-8-11(2)14-12-9-6-7-10-13(12)15-3/h11-14H,4-10H2,1-3H3
InChIKeyRVVACNCPUKEIRU-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds6

About N-hexan-2-yl-2-methoxycyclohexan-1-amine

N-hexan-2-yl-2-methoxycyclohexan-1-amine (PubChem CID 62199829) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-hexan-2-yl-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-hexan-2-yl-2-methoxycyclohexan-1-amine
PubChem CID62199829
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-hexan-2-yl-2-methoxycyclohexan-1-amine
SMILESCCCCC(C)NC1CCCCC1OC
InChIInChI=1S/C13H27NO/c1-4-5-8-11(2)14-12-9-6-7-10-13(12)15-3/h11-14H,4-10H2,1-3H3
InChIKeyRVVACNCPUKEIRU-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,1-N-diethyl-4-N-(2-methoxycyclohexyl)pentane-1,4-diamine
CID 43761171
N-butan-2-yl-2-methoxycyclopentan-1-amine
CID 62089078
cis-(1R,2S)-2-methoxy-N-[(2R)-1-methoxypropan-2-yl]cyclohexan-1-amine
CID 11871353
2-methoxy-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 2850085
2-methoxy-N-pentan-3-ylcyclohexan-1-amine
CID 3126341
cis-(1R,2S)-2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 94347863
2-methoxy-N-propan-2-ylcyclopentan-1-amine
CID 62088372
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine
CID 103786645
trans-(1S,2S)-N-ethyl-2-methoxycyclohexan-1-amine
CID 93280859
1-N-methyl-2-N-pentan-2-ylcyclohexane-1,2-diamine
CID 70316419
N-heptan-2-ylcycloheptanamine
CID 43082272

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-2-methoxycyclohexan-1-amine?
The IUPAC name of N-hexan-2-yl-2-methoxycyclohexan-1-amine (CID 62199829) is N-hexan-2-yl-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-hexan-2-yl-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-hexan-2-yl-2-methoxycyclohexan-1-amine is CCCCC(C)NC1CCCCC1OC.
What is the InChIKey of N-hexan-2-yl-2-methoxycyclohexan-1-amine?
The InChIKey is RVVACNCPUKEIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-5-8-11(2)14-12-9-6-7-10-13(12)15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-hexan-2-yl-2-methoxycyclohexan-1-amine?
N-hexan-2-yl-2-methoxycyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 62199829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).