2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

C13H27NO — CID 62457054

IUPAC2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(OCC1CC1)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)7-14-8-13(11(3)4)15-9-12-5-6-12/h10-14H,5-9H2,1-4H3
InChIKeyCFLSOBINHCEHKV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.68
Rot. Bonds8

About 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine

2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 62457054) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
PubChem CID62457054
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCC(OCC1CC1)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)7-14-8-13(11(3)4)15-9-12-5-6-12/h10-14H,5-9H2,1-4H3
InChIKeyCFLSOBINHCEHKV-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclohexylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62486524
2-(cyclopropylmethoxy)-3-methylbutan-1-amine
CID 62457455
2-cyclobutyloxy-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 62442194
2-(cyclopentylmethoxy)-N-(2-methylpropyl)butan-1-amine
CID 66322283
N-ethyl-3-methyl-2-(oxolan-3-ylmethoxy)butan-1-amine
CID 62485416
3-methyl-2-(oxolan-3-ylmethoxy)-N-propylbutan-1-amine
CID 62485593
N-(2-methylpropyl)-2-(oxan-4-ylmethoxy)butan-1-amine
CID 62486898
1,4-bis(propan-2-yloxymethyl)cyclohexane
CID 18739268
CID 175939227
CID 175939227
3-(cyclopropylmethoxy)-2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
CID 79628569
N-[3-methyl-2-(oxolan-3-ylmethoxy)butyl]cyclopropanamine
CID 62485595
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine (CID 62457054) is 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCC(OCC1CC1)C(C)C.
What is the InChIKey of 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is CFLSOBINHCEHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)7-14-8-13(11(3)4)15-9-12-5-6-12/h10-14H,5-9H2,1-4H3.
What are the key properties of 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine?
2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-3-methyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 62457054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).