(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine

C9H24N4 — CID 129302821

IUPAC(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine
SMILESCCC[C@H](N)CN(CCN)CCN
InChIInChI=1S/C9H24N4/c1-2-3-9(12)8-13(6-4-10)7-5-11/h9H,2-8,10-12H2,1H3/t9-/m0/s1
InChIKeyBACCVFLINAOEPF-VIFPVBQESA-N
MW188.32 g/mol
LogP-0.67
Rot. Bonds8

About (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine

(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine (PubChem CID 129302821) has the molecular formula C9H24N4 and a molecular weight of 188.32 g/mol. Its IUPAC name is (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine
PubChem CID129302821
Molecular FormulaC9H24N4
Molecular Weight188.32 g/mol
Exact Mass188.20
IUPAC Name(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine
SMILESCCC[C@H](N)CN(CCN)CCN
InChIInChI=1S/C9H24N4/c1-2-3-9(12)8-13(6-4-10)7-5-11/h9H,2-8,10-12H2,1H3/t9-/m0/s1
InChIKeyBACCVFLINAOEPF-VIFPVBQESA-N
XLogP-0.67
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.32
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-dipropylpentane-1,2-diamine
CID 43650406
1-N,1-N-bis(2-aminoethyl)butane-1,2,4-triamine
CID 87276093
(2S)-1-N,1-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 112737195
N'-(2-aminoethyl)-N'-(2-methylpentyl)ethane-1,2-diamine
CID 62923464
1-N-ethyl-1-N-(2-methylpropyl)pentane-1,2-diamine
CID 43650469
1-N-(2-aminoethyl)-1-N-[2-(2-aminoethylamino)ethyl]butane-1,2,4-triamine
CID 153410752
(2S)-1-N-ethyl-1-N-methylpentane-1,2-diamine
CID 130522075
1-N-butyl-1-N-methylpentane-1,2-diamine
CID 43650417
ethane;hexan-3-amine
CID 143616305
heptane-1,4-diamine
CID 18547393
3-amino-4-(dibutylamino)butan-1-ol
CID 64900069
N',N',2-tripropylpropane-1,3-diamine
CID 65228607

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine?
The IUPAC name of (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine (CID 129302821) is (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine.
What is the SMILES notation for (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine?
The canonical SMILES for (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine is CCC[C@H](N)CN(CCN)CCN.
What is the InChIKey of (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine?
The InChIKey is BACCVFLINAOEPF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H24N4/c1-2-3-9(12)8-13(6-4-10)7-5-11/h9H,2-8,10-12H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine?
(2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine has a molecular weight of 188.32 g/mol, XLogP of -0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N,1-N-bis(2-aminoethyl)pentane-1,2-diamine is sourced from PubChem (CID 129302821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).