2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol

C13H26N2O — CID 64791232

IUPAC2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCN(CC1CC1)CC1CC1
InChIInChI=1S/C13H26N2O/c1-13(14,10-16)6-7-15(8-11-2-3-11)9-12-4-5-12/h11-12,16H,2-10,14H2,1H3
InChIKeyMVYVMPADCUVFIK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.21
Rot. Bonds8

About 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol

2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol (PubChem CID 64791232) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol
PubChem CID64791232
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol
SMILESCC(N)(CO)CCN(CC1CC1)CC1CC1
InChIInChI=1S/C13H26N2O/c1-13(14,10-16)6-7-15(8-11-2-3-11)9-12-4-5-12/h11-12,16H,2-10,14H2,1H3
InChIKeyMVYVMPADCUVFIK-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-[cyclobutylmethyl(methyl)amino]-2-methylbutan-1-ol
CID 64787239
4-[bis(cyclopropylmethyl)amino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77061941
N',N'-bis(cyclopropylmethyl)-2,2-dimethylbutane-1,4-diamine
CID 65247386
2-amino-2-methyl-4-[methyl-(2-methyloxolan-3-yl)amino]butan-1-ol
CID 82745922
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butan-1-ol
CID 64791608
4-[cyclopropylmethyl(propyl)amino]-2,2-dimethylbutanimidamide
CID 65252334
2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
CID 64826211
2-amino-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-methylbutan-1-ol
CID 64828090
2-[cyclopentylmethyl(cyclopropylmethyl)amino]ethanol
CID 115593687
5-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(methylamino)pentan-1-ol
CID 64789438
2-[cyclopropylmethyl-(2-methyl-2-methylsulfonylpropyl)amino]ethanol
CID 115882332
2-amino-5-[cyclopropyl(propyl)amino]-2-methylpentan-1-ol
CID 64797037

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol?
The IUPAC name of 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol (CID 64791232) is 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol is CC(N)(CO)CCN(CC1CC1)CC1CC1.
What is the InChIKey of 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol?
The InChIKey is MVYVMPADCUVFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(14,10-16)6-7-15(8-11-2-3-11)9-12-4-5-12/h11-12,16H,2-10,14H2,1H3.
What are the key properties of 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol?
2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 64791232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).