2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol

C14H29N3O — CID 114087996

IUPAC2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN1CCCN(C)CC1C)C1CC1
InChIInChI=1S/C14H29N3O/c1-12-9-16(3)7-4-8-17(12)10-14(11-18,15-2)13-5-6-13/h12-13,15,18H,4-11H2,1-3H3
InChIKeyTXVWDXNUEXNEJC-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.37
Rot. Bonds5

About 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol

2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol (PubChem CID 114087996) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol
PubChem CID114087996
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(CN1CCCN(C)CC1C)C1CC1
InChIInChI=1S/C14H29N3O/c1-12-9-16(3)7-4-8-17(12)10-14(11-18,15-2)13-5-6-13/h12-13,15,18H,4-11H2,1-3H3
InChIKeyTXVWDXNUEXNEJC-UHFFFAOYSA-N
XLogP0.37
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 64788433
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2-cyclopropyl-3-(3-ethylpiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64795789
2-cyclopropyl-3-(2-methylazepan-1-yl)-2-(propan-2-ylamino)propan-1-ol
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CID 79934787
2-cyclopropyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 102887325
2-cyclopropyl-2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propan-1-ol
CID 103504047
2-cyclopropyl-3-(3,4-dihydro-2H-quinolin-1-yl)-2-(methylamino)propan-1-ol
CID 64796310
2-[(2,4-dimethyl-1,4-diazepan-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 114087578
2-cyclopropyl-2-(propan-2-ylamino)-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-ol
CID 114540865
2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64827067
3-(cyclopentylmethylsulfanyl)-2-cyclopropyl-2-(methylamino)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol (CID 114087996) is 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol is CNC(CO)(CN1CCCN(C)CC1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol?
The InChIKey is TXVWDXNUEXNEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12-9-16(3)7-4-8-17(12)10-14(11-18,15-2)13-5-6-13/h12-13,15,18H,4-11H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol has a molecular weight of 255.41 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,4-dimethyl-1,4-diazepan-1-yl)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 114087996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).