N"-(4-aminobutoxy)methanetriamine

C5H16N4O — CID 142009330

IUPACN"-(4-aminobutoxy)methanetriamine
SMILESNCCCCONC(N)N
InChIInChI=1S/C5H16N4O/c6-3-1-2-4-10-9-5(7)8/h5,9H,1-4,6-8H2
InChIKeyAREZHAJROODWMF-UHFFFAOYSA-N
MW148.21 g/mol
LogP-1.55
Rot. Bonds6

About N"-(4-aminobutoxy)methanetriamine

N"-(4-aminobutoxy)methanetriamine (PubChem CID 142009330) has the molecular formula C5H16N4O and a molecular weight of 148.21 g/mol. Its IUPAC name is N"-(4-aminobutoxy)methanetriamine.

Molecular Properties

Compound NameN"-(4-aminobutoxy)methanetriamine
PubChem CID142009330
Molecular FormulaC5H16N4O
Molecular Weight148.21 g/mol
Exact Mass148.13
IUPAC NameN"-(4-aminobutoxy)methanetriamine
SMILESNCCCCONC(N)N
InChIInChI=1S/C5H16N4O/c6-3-1-2-4-10-9-5(7)8/h5,9H,1-4,6-8H2
InChIKeyAREZHAJROODWMF-UHFFFAOYSA-N
XLogP-1.55
TPSA99.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 5-1.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(12-aminododecoxy)hydroxylamine
CID 175865431
4-aminobutoxycarbamic acid
CID 87755942
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
2-N-hexoxypropane-1,2-diamine
CID 140866875
bis(O-(4-aminobutyl)hydroxylamine);dihydrochloride
CID 173302500
O-(13-aminotridecyl)hydroxylamine
CID 174386502
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752
4-[1-[(2-methylpropan-2-yl)oxy]ethenylamino]oxybutan-1-amine
CID 89358013
ethyl 2-(4-aminobutoxyamino)-2-oxoacetate
CID 54552637
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
5-(2-aminoethoxy)pentan-1-amine
CID 58473832

Frequently Asked Questions

What is the IUPAC name of N"-(4-aminobutoxy)methanetriamine?
The IUPAC name of N"-(4-aminobutoxy)methanetriamine (CID 142009330) is N"-(4-aminobutoxy)methanetriamine.
What is the SMILES notation for N"-(4-aminobutoxy)methanetriamine?
The canonical SMILES for N"-(4-aminobutoxy)methanetriamine is NCCCCONC(N)N.
What is the InChIKey of N"-(4-aminobutoxy)methanetriamine?
The InChIKey is AREZHAJROODWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H16N4O/c6-3-1-2-4-10-9-5(7)8/h5,9H,1-4,6-8H2.
What are the key properties of N"-(4-aminobutoxy)methanetriamine?
N"-(4-aminobutoxy)methanetriamine has a molecular weight of 148.21 g/mol, XLogP of -1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(4-aminobutoxy)methanetriamine is sourced from PubChem (CID 142009330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).