5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine

C12H25N — CID 115713020

IUPAC5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine
SMILESCC(C)CCC(C)NCC1CC1C
InChIInChI=1S/C12H25N/c1-9(2)5-6-11(4)13-8-12-7-10(12)3/h9-13H,5-8H2,1-4H3
InChIKeyQCIIKVYPFVJUOM-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds6

About 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine

5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine (PubChem CID 115713020) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine
PubChem CID115713020
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine
SMILESCC(C)CCC(C)NCC1CC1C
InChIInChI=1S/C12H25N/c1-9(2)5-6-11(4)13-8-12-7-10(12)3/h9-13H,5-8H2,1-4H3
InChIKeyQCIIKVYPFVJUOM-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Octamylamine
CID 10406
Iproheptine
CID 19917
N-(2-Ethylhexyl)cyclohexanamine
CID 221524
Cyclohexanemethylamine, N-cyclopropyl-
CID 202172
1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123
1,1',3,3'-Tetramethyldibutylamine
CID 96012
N-Ethyl-1-amino-1,3-dimethylbutane
CID 39359
N,6-Dimethyl-2-heptanamine
CID 10415
N-Isopropyl-6-methyl-2-heptylamine hydrochloride
CID 19916
2-Hexylamine, N,5-dimethyl-
CID 44596
Methamexamine
CID 110742
Cyclohexanemethylamine, N-cyclopropyl-alpha-methyl-
CID 202159

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine (CID 115713020) is 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine is CC(C)CCC(C)NCC1CC1C.
What is the InChIKey of 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine?
The InChIKey is QCIIKVYPFVJUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)5-6-11(4)13-8-12-7-10(12)3/h9-13H,5-8H2,1-4H3.
What are the key properties of 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine?
5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methylcyclopropyl)methyl]hexan-2-amine is sourced from PubChem (CID 115713020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).