N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine

C14H27NO — CID 104628883

IUPACN-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(C1CC1)C1CC1
InChIInChI=1S/C14H27NO/c1-14(2,8-9-16-3)10-15-13(11-4-5-11)12-6-7-12/h11-13,15H,4-10H2,1-3H3
InChIKeyMBYPNTQDMIBINE-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.83
Rot. Bonds8

About N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine

N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine (PubChem CID 104628883) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
PubChem CID104628883
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
SMILESCOCCC(C)(C)CNC(C1CC1)C1CC1
InChIInChI=1S/C14H27NO/c1-14(2,8-9-16-3)10-15-13(11-4-5-11)12-6-7-12/h11-13,15H,4-10H2,1-3H3
InChIKeyMBYPNTQDMIBINE-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(4-methoxyphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104628759
1-N-(dicyclopropylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62847502
N-(1-cyclopropyl-2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 103829362
1-(dicyclopropylmethylamino)-2-methylbutan-2-ol
CID 65108113
3-(dicyclopropylmethylamino)-N-(2-methoxyethyl)propanamide
CID 112700222
N-(2-cyclohexylethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 103529191
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
CID 81411710
N-butan-2-yl-2-[(4-methoxy-2,2-dimethylbutyl)amino]propanamide
CID 104624297
N-(4-methoxy-2,2-dimethylbutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 104844849
1,1-dicyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]methanamine
CID 114042125
4-methoxy-2,2-dimethyl-N-[1-(4-methylphenyl)ethyl]butan-1-amine
CID 104628706

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine (CID 104628883) is N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine is COCCC(C)(C)CNC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
The InChIKey is MBYPNTQDMIBINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-14(2,8-9-16-3)10-15-13(11-4-5-11)12-6-7-12/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine?
N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 104628883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).