2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine

C13H27NO — CID 43183143

IUPAC2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
SMILESCC(C)OCCCNC1CCCCC1C
InChIInChI=1S/C13H27NO/c1-11(2)15-10-6-9-14-13-8-5-4-7-12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyQFHAUCIOUTYTDR-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine

2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine (PubChem CID 43183143) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
PubChem CID43183143
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
SMILESCC(C)OCCCNC1CCCCC1C
InChIInChI=1S/C13H27NO/c1-11(2)15-10-6-9-14-13-8-5-4-7-12(13)3/h11-14H,4-10H2,1-3H3
InChIKeyQFHAUCIOUTYTDR-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 64774993
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine
CID 102571467
2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
CID 113383965
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974
N-(3-cyclohexyloxypropyl)-2-methylcyclopentan-1-amine
CID 65046770
2-methyl-N-(4-propan-2-yloxybutyl)thian-3-amine
CID 106007631
2-piperidin-2-yl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 79552730
trans-(1R,2R)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923238
cis-(1R,2S)-N-(4-methoxybutyl)-2-methylcyclopentan-1-amine
CID 96923239

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The IUPAC name of 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine (CID 43183143) is 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The canonical SMILES for 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine is CC(C)OCCCNC1CCCCC1C.
What is the InChIKey of 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The InChIKey is QFHAUCIOUTYTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)15-10-6-9-14-13-8-5-4-7-12(13)3/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 43183143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).