1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol

C14H28N2O — CID 66334409

IUPAC1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN(CC1CC1)C1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-14(3,17)10-16(13-6-7-13)8-12-4-5-12/h11-13,15,17H,4-10H2,1-3H3
InChIKeyCZTJYQWMKAPXEC-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.61
Rot. Bonds8

About 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol

1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 66334409) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID66334409
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(C)(O)CN(CC1CC1)C1CC1
InChIInChI=1S/C14H28N2O/c1-11(2)15-9-14(3,17)10-16(13-6-7-13)8-12-4-5-12/h11-13,15,17H,4-10H2,1-3H3
InChIKeyCZTJYQWMKAPXEC-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol (CID 66334409) is 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(C)(O)CN(CC1CC1)C1CC1.
What is the InChIKey of 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is CZTJYQWMKAPXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)15-9-14(3,17)10-16(13-6-7-13)8-12-4-5-12/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol?
1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 240.39 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(cyclopropylmethyl)amino]-2-methyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 66334409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).