1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol

C14H30N2O — CID 115475061

IUPAC1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol
SMILESCCCN(CC(O)CNC(C)(C)C)CC1CC1
InChIInChI=1S/C14H30N2O/c1-5-8-16(10-12-6-7-12)11-13(17)9-15-14(2,3)4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyAEZVCEWTRBADQG-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.86
Rot. Bonds8

About 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol

1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol (PubChem CID 115475061) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol
PubChem CID115475061
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol
SMILESCCCN(CC(O)CNC(C)(C)C)CC1CC1
InChIInChI=1S/C14H30N2O/c1-5-8-16(10-12-6-7-12)11-13(17)9-15-14(2,3)4/h12-13,15,17H,5-11H2,1-4H3
InChIKeyAEZVCEWTRBADQG-UHFFFAOYSA-N
XLogP1.86
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropylmethyl(propyl)amino]-3-(propan-2-ylamino)propan-2-ol
CID 61440788
(2R)-1-[cyclopropylmethyl(propyl)amino]propan-2-ol
CID 103935017
4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
CID 82770458
1-(tert-butylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-2-ol
CID 115475082
1-N-tert-butyl-2-N-(cyclopropylmethyl)-2-N-propylbutane-1,2-diamine
CID 62430592
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 107400773
3-[cyclopropylmethyl(propyl)amino]-2-(propan-2-ylamino)propan-1-ol
CID 64826926
N-tert-butyl-N'-(cyclopropylmethyl)-2,2-diethyl-N'-propylpropane-1,3-diamine
CID 63495721
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
3-[[3-(tert-butylamino)-2-hydroxypropyl]-cyclopropylamino]propanenitrile
CID 115475121
1-(4-aminophenyl)-2-[cyclopropylmethyl(propyl)amino]ethanol
CID 55055537
2-[cyclopropylmethyl(propyl)amino]-1-(4-fluorophenyl)ethanol
CID 110883262

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol?
The IUPAC name of 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol (CID 115475061) is 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol.
What is the SMILES notation for 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol?
The canonical SMILES for 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol is CCCN(CC(O)CNC(C)(C)C)CC1CC1.
What is the InChIKey of 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol?
The InChIKey is AEZVCEWTRBADQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-5-8-16(10-12-6-7-12)11-13(17)9-15-14(2,3)4/h12-13,15,17H,5-11H2,1-4H3.
What are the key properties of 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol?
1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-[cyclopropylmethyl(propyl)amino]propan-2-ol is sourced from PubChem (CID 115475061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).