3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine

C13H29N3 — CID 115134988

IUPAC3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine
SMILESCN1CCC(CCNC(C)(C)CCN)CC1
InChIInChI=1S/C13H29N3/c1-13(2,7-8-14)15-9-4-12-5-10-16(3)11-6-12/h12,15H,4-11,14H2,1-3H3
InChIKeyDHXMSZXJRHIPPB-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.44
Rot. Bonds6

About 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine

3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine (PubChem CID 115134988) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine
PubChem CID115134988
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine
SMILESCN1CCC(CCNC(C)(C)CCN)CC1
InChIInChI=1S/C13H29N3/c1-13(2,7-8-14)15-9-4-12-5-10-16(3)11-6-12/h12,15H,4-11,14H2,1-3H3
InChIKeyDHXMSZXJRHIPPB-UHFFFAOYSA-N
XLogP1.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-(1-methylpyrrolidin-3-yl)ethyl]butane-1,4-diamine
CID 115204592
ethyl 2-methyl-2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 115128909
1-N,2-dimethyl-2-N-[2-(1-methylpiperidin-3-yl)ethyl]propane-1,2-diamine
CID 115132980
[2-(1-methylpiperidin-4-yl)ethylamino]methanol
CID 115229407
N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 114515255
4-amino-4-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]pentanamide
CID 115740935
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
4-amino-N,2,2-trimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115157150
2,2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]butane-1,4-diamine
CID 115204944
2-[2-(1-methylpiperidin-4-yl)ethylamino]ethanethiol
CID 115224308
4-amino-2,2-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]butanamide
CID 115157046
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine (CID 115134988) is 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine is CN1CCC(CCNC(C)(C)CCN)CC1.
What is the InChIKey of 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine?
The InChIKey is DHXMSZXJRHIPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2,7-8-14)15-9-4-12-5-10-16(3)11-6-12/h12,15H,4-11,14H2,1-3H3.
What are the key properties of 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine?
3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine has a molecular weight of 227.40 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-[2-(1-methylpiperidin-4-yl)ethyl]butane-1,3-diamine is sourced from PubChem (CID 115134988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).