2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine

C14H29NO — CID 64774993

IUPAC2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
SMILESCC(C)OCCCNC1CCCC(C)C1C
InChIInChI=1S/C14H29NO/c1-11(2)16-10-6-9-15-14-8-5-7-12(3)13(14)4/h11-15H,5-10H2,1-4H3
InChIKeyLXYMSKGHQAKQIU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds6

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

2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine (PubChem CID 64774993) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
PubChem CID64774993
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
SMILESCC(C)OCCCNC1CCCC(C)C1C
InChIInChI=1S/C14H29NO/c1-11(2)16-10-6-9-15-14-8-5-7-12(3)13(14)4/h11-15H,5-10H2,1-4H3
InChIKeyLXYMSKGHQAKQIU-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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-methyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43183143
1-N-(3-propan-2-yloxypropyl)cyclopentane-1,2-diamine
CID 102571467
N-(3-ethenoxypropyl)-2,3-dimethylcyclohexan-1-amine
CID 64774982
2-methoxy-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 43771411
N-(3,3-diethoxypropyl)-2,3-dimethylcyclohexan-1-amine
CID 81093238
3-[(2,3-dimethylcyclohexyl)amino]propan-1-ol
CID 60672378
2-methyl-N-(4-propan-2-yloxybutyl)thian-3-amine
CID 106007631
2-propan-2-yl-N-(4-propan-2-yloxybutyl)cyclohexan-1-amine
CID 113383965
2,4,4-trimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 81300974
N-(3-propan-2-yloxypropyl)cycloheptanamine
CID 28726587
trans-(1R,2R)-N-(3-methoxypropyl)-2-methylcyclopentan-1-amine
CID 95377511
2,3-dimethyl-N-(2-propoxyethyl)cyclohexan-1-amine
CID 106451456

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The IUPAC name of 2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine (CID 64774993) is 2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine is CC(C)OCCCNC1CCCC(C)C1C.
What is the InChIKey of 2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
The InChIKey is LXYMSKGHQAKQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-11(2)16-10-6-9-15-14-8-5-7-12(3)13(14)4/h11-15H,5-10H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine?
2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine is sourced from PubChem (CID 64774993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).