N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine

C16H33N3 — CID 174181358

IUPACN-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine
SMILESC=C(C)NCC1CCN(CCNCCCCC)CC1
InChIInChI=1S/C16H33N3/c1-4-5-6-9-17-10-13-19-11-7-16(8-12-19)14-18-15(2)3/h16-18H,2,4-14H2,1,3H3
InChIKeyIDJIPDVZIKUBSI-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.60
Rot. Bonds10

About N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine

N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine (PubChem CID 174181358) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine
PubChem CID174181358
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine
SMILESC=C(C)NCC1CCN(CCNCCCCC)CC1
InChIInChI=1S/C16H33N3/c1-4-5-6-9-17-10-13-19-11-7-16(8-12-19)14-18-15(2)3/h16-18H,2,4-14H2,1,3H3
InChIKeyIDJIPDVZIKUBSI-UHFFFAOYSA-N
XLogP2.60
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]pentan-1-amine
CID 103503529
N-[(1-hexylpiperidin-4-yl)methyl]propan-1-amine
CID 62591680
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine
CID 63008881
N-[2-(4-methoxypiperidin-1-yl)ethyl]butan-1-amine
CID 62560572
N-(2-piperazin-1-ylethyl)octan-1-amine
CID 115568684
N-(2-piperazin-1-ylethyl)tetradecan-1-amine
CID 22706682
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62554227

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine?
The IUPAC name of N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine (CID 174181358) is N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine.
What is the SMILES notation for N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine?
The canonical SMILES for N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine is C=C(C)NCC1CCN(CCNCCCCC)CC1.
What is the InChIKey of N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine?
The InChIKey is IDJIPDVZIKUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-5-6-9-17-10-13-19-11-7-16(8-12-19)14-18-15(2)3/h16-18H,2,4-14H2,1,3H3.
What are the key properties of N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine?
N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(prop-1-en-2-ylamino)methyl]piperidin-1-yl]ethyl]pentan-1-amine is sourced from PubChem (CID 174181358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).