N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

C14H29N3 — CID 62425566

IUPACN-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)C1CCN(C)CC1
InChIInChI=1S/C14H29N3/c1-12(10-15-13-4-5-13)11-17(3)14-6-8-16(2)9-7-14/h12-15H,4-11H2,1-3H3
InChIKeySKMXMAHSKOTALP-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds6

About N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine

N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 62425566) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
PubChem CID62425566
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine
SMILESCC(CNC1CC1)CN(C)C1CCN(C)CC1
InChIInChI=1S/C14H29N3/c1-12(10-15-13-4-5-13)11-17(3)14-6-8-16(2)9-7-14/h12-15H,4-11H2,1-3H3
InChIKeySKMXMAHSKOTALP-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine (CID 62425566) is N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is CC(CNC1CC1)CN(C)C1CCN(C)CC1.
What is the InChIKey of N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is SKMXMAHSKOTALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(10-15-13-4-5-13)11-17(3)14-6-8-16(2)9-7-14/h12-15H,4-11H2,1-3H3.
What are the key properties of N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine?
N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N',2-dimethyl-N'-(1-methylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 62425566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).