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

C12H24N2O — CID 64790437

IUPAC2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol
SMILESNC(CO)CCN(CC1CC1)CC1CC1
InChIInChI=1S/C12H24N2O/c13-12(9-15)5-6-14(7-10-1-2-10)8-11-3-4-11/h10-12,15H,1-9,13H2
InChIKeyNDVHMDCKJOTADU-UHFFFAOYSA-N
MW212.34 g/mol
LogP0.82
Rot. Bonds8

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

2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol (PubChem CID 64790437) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol
PubChem CID64790437
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol
SMILESNC(CO)CCN(CC1CC1)CC1CC1
InChIInChI=1S/C12H24N2O/c13-12(9-15)5-6-14(7-10-1-2-10)8-11-3-4-11/h10-12,15H,1-9,13H2
InChIKeyNDVHMDCKJOTADU-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol?
The IUPAC name of 2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol (CID 64790437) is 2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol.
What is the SMILES notation for 2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol?
The canonical SMILES for 2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol is NC(CO)CCN(CC1CC1)CC1CC1.
What is the InChIKey of 2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol?
The InChIKey is NDVHMDCKJOTADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c13-12(9-15)5-6-14(7-10-1-2-10)8-11-3-4-11/h10-12,15H,1-9,13H2.
What are the key properties of 2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol?
2-amino-4-[bis(cyclopropylmethyl)amino]butan-1-ol has a molecular weight of 212.34 g/mol, XLogP of 0.82, 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]butan-1-ol is sourced from PubChem (CID 64790437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).