N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine

C13H26N2 — CID 62591685

IUPACN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CC2CC2)CC1
InChIInChI=1S/C13H26N2/c1-2-7-14-10-12-5-8-15(9-6-12)11-13-3-4-13/h12-14H,2-11H2,1H3
InChIKeyVCSKOGNCPKNMMT-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.11
Rot. Bonds6

About N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine

N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine (PubChem CID 62591685) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
PubChem CID62591685
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CC2CC2)CC1
InChIInChI=1S/C13H26N2/c1-2-7-14-10-12-5-8-15(9-6-12)11-13-3-4-13/h12-14H,2-11H2,1H3
InChIKeyVCSKOGNCPKNMMT-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]propan-1-amine
CID 62593266
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
N,N-dimethyl-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 63849787
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
CID 65459890
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 116522162
N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009499
N-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methyl]propan-1-amine
CID 64565266
N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 106019257
N-[[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 102898526
N-[[4-(methylaminomethyl)cyclohexyl]methyl]propan-1-amine
CID 123988993
N-[[1-(2-propan-2-yloxyethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62592739
2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
CID 63849785

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine (CID 62591685) is N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine is CCCNCC1CCN(CC2CC2)CC1.
What is the InChIKey of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine?
The InChIKey is VCSKOGNCPKNMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-2-7-14-10-12-5-8-15(9-6-12)11-13-3-4-13/h12-14H,2-11H2,1H3.
What are the key properties of N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine?
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine has a molecular weight of 210.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62591685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).