3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol

C14H30N2O — CID 65377199

IUPAC3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
SMILESCC(C)C1CCCC(CN)(NCCCO)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)13-5-3-7-14(11-15,8-6-13)16-9-4-10-17/h12-13,16-17H,3-11,15H2,1-2H3
InChIKeyNGGUNAACSYPHEN-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.89
Rot. Bonds6

About 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol

3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol (PubChem CID 65377199) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
PubChem CID65377199
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
SMILESCC(C)C1CCCC(CN)(NCCCO)CC1
InChIInChI=1S/C14H30N2O/c1-12(2)13-5-3-7-14(11-15,8-6-13)16-9-4-10-17/h12-13,16-17H,3-11,15H2,1-2H3
InChIKeyNGGUNAACSYPHEN-UHFFFAOYSA-N
XLogP1.89
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol (CID 65377199) is 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol is CC(C)C1CCCC(CN)(NCCCO)CC1.
What is the InChIKey of 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol?
The InChIKey is NGGUNAACSYPHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(2)13-5-3-7-14(11-15,8-6-13)16-9-4-10-17/h12-13,16-17H,3-11,15H2,1-2H3.
What are the key properties of 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol?
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol has a molecular weight of 242.41 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol is sourced from PubChem (CID 65377199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).