2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine

C14H29N3 — CID 61440391

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine
SMILESCCCCC(CN)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-2-3-4-14(11-15)17-9-7-16(8-10-17)12-13-5-6-13/h13-14H,2-12,15H2,1H3
InChIKeyWKQKLWGOFKPPGL-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.53
Rot. Bonds7

About 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine

2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine (PubChem CID 61440391) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine
PubChem CID61440391
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine
SMILESCCCCC(CN)N1CCN(CC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-2-3-4-14(11-15)17-9-7-16(8-10-17)12-13-5-6-13/h13-14H,2-12,15H2,1H3
InChIKeyWKQKLWGOFKPPGL-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
2-(4-ethoxypiperidin-1-yl)hexan-1-amine
CID 61351754
2-[4-(methoxymethyl)piperidin-1-yl]hexan-1-amine
CID 63971703
2-(4,4-dimethylpiperidin-1-yl)hexan-1-amine
CID 62937913
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine
CID 65233062
2-[3-(methoxymethyl)pyrrolidin-1-yl]hexan-1-amine
CID 64568314
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
CID 43362658
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
2-(1,1-dioxo-1,4-thiazinan-4-yl)hexan-1-amine
CID 78969129
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
CID 62886437
2-(azocan-1-yl)nonan-1-amine
CID 43130470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine (CID 61440391) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine is CCCCC(CN)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine?
The InChIKey is WKQKLWGOFKPPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-3-4-14(11-15)17-9-7-16(8-10-17)12-13-5-6-13/h13-14H,2-12,15H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine is sourced from PubChem (CID 61440391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).