N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine

C11H23NO — CID 115713933

IUPACN-(2-cyclopropylpropyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCC(C)C1CC1
InChIInChI=1S/C11H23NO/c1-8(11-5-6-11)7-12-9(2)10(3)13-4/h8-12H,5-7H2,1-4H3
InChIKeyOUPSZPVXJHSTHR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds6

About N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine

N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine (PubChem CID 115713933) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-3-methoxybutan-2-amine
PubChem CID115713933
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(2-cyclopropylpropyl)-3-methoxybutan-2-amine
SMILESCOC(C)C(C)NCC(C)C1CC1
InChIInChI=1S/C11H23NO/c1-8(11-5-6-11)7-12-9(2)10(3)13-4/h8-12H,5-7H2,1-4H3
InChIKeyOUPSZPVXJHSTHR-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropylpropyl)-3-methylbutan-2-amine
CID 115713855
(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
3-methoxy-N-(thiolan-3-ylmethyl)butan-2-amine
CID 107295324
2-cyclopropyl-N-(cyclopropylmethyl)propan-1-amine
CID 78921560
methyl 4-(2-cyclopropylpropylamino)-2-methylpentanoate
CID 104646176
N-(1-tert-butylsulfanylpropan-2-yl)-2-cyclopropylpropan-1-amine
CID 115713891
3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896258
1-(3-methoxybutan-2-ylamino)pentan-2-ol
CID 115719384
N-(3-cyclohexylpropyl)-3-methoxybutan-2-amine
CID 115709393
N-[2-(cyclopropylmethylsulfanyl)ethyl]-3-methoxybutan-2-amine
CID 115729286
3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 115709020

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine?
The IUPAC name of N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine (CID 115713933) is N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine.
What is the SMILES notation for N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine?
The canonical SMILES for N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine is COC(C)C(C)NCC(C)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine?
The InChIKey is OUPSZPVXJHSTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-8(11-5-6-11)7-12-9(2)10(3)13-4/h8-12H,5-7H2,1-4H3.
What are the key properties of N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine?
N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine is sourced from PubChem (CID 115713933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).