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

C16H33N3 — CID 61441064

IUPAC2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
SMILESCCCCCCC(CN)N1CCN(CC2CC2)CC1
InChIInChI=1S/C16H33N3/c1-2-3-4-5-6-16(13-17)19-11-9-18(10-12-19)14-15-7-8-15/h15-16H,2-14,17H2,1H3
InChIKeyAQELYWNWSGYTRJ-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds9

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

2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine (PubChem CID 61441064) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine.

Molecular Properties

Compound Name2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
PubChem CID61441064
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
SMILESCCCCCCC(CN)N1CCN(CC2CC2)CC1
InChIInChI=1S/C16H33N3/c1-2-3-4-5-6-16(13-17)19-11-9-18(10-12-19)14-15-7-8-15/h15-16H,2-14,17H2,1H3
InChIKeyAQELYWNWSGYTRJ-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine
CID 61440391
2-(4-propylpiperidin-1-yl)nonan-1-amine
CID 63465247
2-(4-cyclopentylpiperazin-1-yl)octan-1-amine
CID 62369576
2-(azocan-1-yl)nonan-1-amine
CID 43130470
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]octan-1-amine
CID 62886437
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]heptan-1-amine
CID 43362658
2-(4-ethoxypiperidin-1-yl)hexan-1-amine
CID 61351754
1-pentadecan-8-ylpiperidin-4-amine
CID 134177605
2-(3,4-dimethylpyrrolidin-1-yl)octan-1-amine
CID 79188205
2-(3-ethoxypiperidin-1-yl)heptan-1-amine
CID 54985101
2-thiomorpholin-4-ylheptan-1-amine
CID 43130462

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine?
The IUPAC name of 2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine (CID 61441064) is 2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine.
What is the SMILES notation for 2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine?
The canonical SMILES for 2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine is CCCCCCC(CN)N1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine?
The InChIKey is AQELYWNWSGYTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-2-3-4-5-6-16(13-17)19-11-9-18(10-12-19)14-15-7-8-15/h15-16H,2-14,17H2,1H3.
What are the key properties of 2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine?
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 9 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]octan-1-amine is sourced from PubChem (CID 61441064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).