6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine

C16H35N3 — CID 106799572

IUPAC6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCN1CCC(CN(C)C)CC1
InChIInChI=1S/C16H35N3/c1-5-16(17-6-2)8-7-11-19-12-9-15(10-13-19)14-18(3)4/h15-17H,5-14H2,1-4H3
InChIKeyTVSMPNXQHZUWAE-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.43
Rot. Bonds9

About 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine

6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine (PubChem CID 106799572) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine.

Molecular Properties

Compound Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine
PubChem CID106799572
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine
SMILESCCNC(CC)CCCN1CCC(CN(C)C)CC1
InChIInChI=1S/C16H35N3/c1-5-16(17-6-2)8-7-11-19-12-9-15(10-13-19)14-18(3)4/h15-17H,5-14H2,1-4H3
InChIKeyTVSMPNXQHZUWAE-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-tert-butylpiperidin-1-yl)-N-ethylhexan-3-amine
CID 106799710
6-(4-cyclopropylpiperazin-1-yl)-N-ethylhexan-3-amine
CID 106799531
N-ethyl-6-(3,4,5-trimethylpiperazin-1-yl)hexan-3-amine
CID 106800125
5-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-propylpentan-1-amine
CID 55073746
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-5-methylhexan-2-amine
CID 62554564
N-ethyl-5-(4-propylpiperidin-1-yl)pentan-2-amine
CID 55050463
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
1-cyclohexyl-2-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylethanamine
CID 104745397
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-(ethylamino)-2-methylhexan-1-ol
CID 64825533
N-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62554227
4-[4-(dimethylamino)piperidin-1-yl]-2-(ethylamino)butan-1-ol
CID 64796209
6-(azepan-1-yl)-N-propylhexan-3-amine
CID 106799197

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine?
The IUPAC name of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine (CID 106799572) is 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine.
What is the SMILES notation for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine?
The canonical SMILES for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine is CCNC(CC)CCCN1CCC(CN(C)C)CC1.
What is the InChIKey of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine?
The InChIKey is TVSMPNXQHZUWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-5-16(17-6-2)8-7-11-19-12-9-15(10-13-19)14-18(3)4/h15-17H,5-14H2,1-4H3.
What are the key properties of 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine?
6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine has a molecular weight of 269.48 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(dimethylamino)methyl]piperidin-1-yl]-N-ethylhexan-3-amine is sourced from PubChem (CID 106799572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).