2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol

C14H28N2O2 — CID 64827729

IUPAC2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
SMILESCN(CCC(C)(CO)NC1CC1)CC1CCCO1
InChIInChI=1S/C14H28N2O2/c1-14(11-17,15-12-5-6-12)7-8-16(2)10-13-4-3-9-18-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyRXZBVQWVPQZSDE-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.99
Rot. Bonds8

About 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol

2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol (PubChem CID 64827729) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
PubChem CID64827729
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
SMILESCN(CCC(C)(CO)NC1CC1)CC1CCCO1
InChIInChI=1S/C14H28N2O2/c1-14(11-17,15-12-5-6-12)7-8-16(2)10-13-4-3-9-18-13/h12-13,15,17H,3-11H2,1-2H3
InChIKeyRXZBVQWVPQZSDE-UHFFFAOYSA-N
XLogP0.99
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-2-methyl-4-[methyl(oxan-4-ylmethyl)amino]butan-1-ol
CID 64791196
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933
6-[cyclobutylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 64786465
2-(cyclopropylamino)-2-methyl-6-[methyl(oxan-4-ylmethyl)amino]hexan-1-ol
CID 64790597
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
CID 106707977
2-chloro-N-methyl-N-(oxolan-2-ylmethyl)ethanamine
CID 61436036
N,N'-dimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 61436191
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64825256
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 107402539
2,2-dimethyl-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
CID 106713969

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol (CID 64827729) is 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol is CN(CCC(C)(CO)NC1CC1)CC1CCCO1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol?
The InChIKey is RXZBVQWVPQZSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(11-17,15-12-5-6-12)7-8-16(2)10-13-4-3-9-18-13/h12-13,15,17H,3-11H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol?
2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol has a molecular weight of 256.39 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol is sourced from PubChem (CID 64827729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).