2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol

C13H28N2O — CID 64826211

IUPAC2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
SMILESCC(C)N(CC1CC1)C(C)CC(C)(N)CO
InChIInChI=1S/C13H28N2O/c1-10(2)15(8-12-5-6-12)11(3)7-13(4,14)9-16/h10-12,16H,5-9,14H2,1-4H3
InChIKeyBNSFBPHJOHGFBO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.60
Rot. Bonds7

About 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol

2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol (PubChem CID 64826211) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
PubChem CID64826211
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
SMILESCC(C)N(CC1CC1)C(C)CC(C)(N)CO
InChIInChI=1S/C13H28N2O/c1-10(2)15(8-12-5-6-12)11(3)7-13(4,14)9-16/h10-12,16H,5-9,14H2,1-4H3
InChIKeyBNSFBPHJOHGFBO-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentanoate
CID 64711469
2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827745
2-amino-4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentan-1-ol
CID 64827880
2-amino-2-methyl-4-[methyl(propan-2-yl)amino]pentan-1-ol
CID 64796081
methyl 4-[cyclopropylmethyl(propan-2-yl)amino]-2-(ethylamino)-2-methylpentanoate
CID 64710892
2-amino-4-(cyclopropylmethoxy)-2-methylpentan-1-ol
CID 64802601
2-amino-4-[bis(cyclopropylmethyl)amino]-2-methylbutan-1-ol
CID 64791232
2-N-(cyclopropylmethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62411973
N-(cyclopropylmethyl)-4,4-dimethyl-N-methylsulfanylpentan-2-amine
CID 155008720
3-N-(cyclopropylmethyl)-1-N-(2-methylpropyl)-3-N-propan-2-ylbutane-1,3-diamine
CID 62412165
2-amino-2-cyclopropyl-3-[cyclopropylmethyl(propan-2-yl)amino]propan-1-ol
CID 64825818
2-N-(cyclopropylmethyl)-1-N-pentyl-2-N-propan-2-ylpropane-1,2-diamine
CID 62568200

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol (CID 64826211) is 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol is CC(C)N(CC1CC1)C(C)CC(C)(N)CO.
What is the InChIKey of 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol?
The InChIKey is BNSFBPHJOHGFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-10(2)15(8-12-5-6-12)11(3)7-13(4,14)9-16/h10-12,16H,5-9,14H2,1-4H3.
What are the key properties of 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol?
2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 64826211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).