N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine

C13H28N4O — CID 83013577

IUPACN-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine
SMILESCC(C)N1CCC(CN)(NN2CCOCC2)CC1
InChIInChI=1S/C13H28N4O/c1-12(2)16-5-3-13(11-14,4-6-16)15-17-7-9-18-10-8-17/h12,15H,3-11,14H2,1-2H3
InChIKeyPHJJEOQNMADJNE-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.02
Rot. Bonds4

About N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine

N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine (PubChem CID 83013577) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine
PubChem CID83013577
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC NameN-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine
SMILESCC(C)N1CCC(CN)(NN2CCOCC2)CC1
InChIInChI=1S/C13H28N4O/c1-12(2)16-5-3-13(11-14,4-6-16)15-17-7-9-18-10-8-17/h12,15H,3-11,14H2,1-2H3
InChIKeyPHJJEOQNMADJNE-UHFFFAOYSA-N
XLogP0.02
TPSA53.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)-3-propan-2-ylcyclobutyl]morpholin-4-amine
CID 103563113
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]morpholin-4-amine
CID 107429124
N-[1-(aminomethyl)-3-ethylcyclopentyl]morpholin-4-amine
CID 83013895
N-[4-(aminomethyl)oxepan-4-yl]-4-methylpiperazin-1-amine
CID 83011562
4-(aminomethyl)-N-(cyclopropylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65384386
4-(aminomethyl)-N-(oxolan-2-ylmethyl)-1-propan-2-ylpiperidin-4-amine
CID 65378603
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]morpholin-4-amine
CID 83011983
(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
CID 83907040
fluoromethane;4-propan-2-ylmorpholine
CID 177187231
4-(aminomethyl)-1-methyl-N-(4-methylpiperazin-1-yl)azepan-4-amine
CID 83011046
N-[1-(aminomethyl)cycloheptyl]-4-methylpiperazin-1-amine
CID 83010725
N-[2-(aminomethyl)-6-bromo-3,4-dihydro-1H-naphthalen-2-yl]morpholin-4-amine
CID 83014109

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine?
The IUPAC name of N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine (CID 83013577) is N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine.
What is the SMILES notation for N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine?
The canonical SMILES for N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine is CC(C)N1CCC(CN)(NN2CCOCC2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine?
The InChIKey is PHJJEOQNMADJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-12(2)16-5-3-13(11-14,4-6-16)15-17-7-9-18-10-8-17/h12,15H,3-11,14H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine?
N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine has a molecular weight of 256.39 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-propan-2-ylpiperidin-4-yl]morpholin-4-amine is sourced from PubChem (CID 83013577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).