N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine

C14H30N2 — CID 62437982

IUPACN-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCCN(C(C)CCNC(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-12-7-6-10-16(11-12)13(2)8-9-15-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyUPFFBVBCQNMCJC-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.88
Rot. Bonds4

About N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine

N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine (PubChem CID 62437982) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
PubChem CID62437982
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine
SMILESCC1CCCN(C(C)CCNC(C)(C)C)C1
InChIInChI=1S/C14H30N2/c1-12-7-6-10-16(11-12)13(2)8-9-15-14(3,4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyUPFFBVBCQNMCJC-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
2,2-dimethyl-N-[2-(3-methylpiperidin-1-yl)propyl]propan-1-amine
CID 115607178
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
N-tert-butyl-3-(2,3-dimethylpiperidin-1-yl)butan-1-amine
CID 62413689
N-tert-butyl-3-(3,4,5-trimethylpiperazin-1-yl)butan-1-amine
CID 114540096
N-tert-butyl-3-(4-propylpiperidin-1-yl)butan-1-amine
CID 55069814
N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-tert-butylbutan-1-amine
CID 65322192
2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 107887847
N-ethyl-4-(3-methylpiperidin-1-yl)pentan-2-amine
CID 64705920
2-amino-2-methyl-4-(3-methylpiperidin-1-yl)pentanoic acid
CID 64725193
2-methyl-N-[2-(3-methylpiperidin-1-yl)propyl]butan-1-amine
CID 115887280

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine (CID 62437982) is N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine is CC1CCCN(C(C)CCNC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine?
The InChIKey is UPFFBVBCQNMCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12-7-6-10-16(11-12)13(2)8-9-15-14(3,4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine?
N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-methylpiperidin-1-yl)butan-1-amine is sourced from PubChem (CID 62437982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).